<?xml version="1.0" ?>
<wwPDB-validation-information xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="http://www.wwpdb.org/validation/schema/wwpdb_validation_v1.xsd http://www.wwpdb.org/validation/schema/wwpdb_validation_v1.xsd">
	<Entry B_factor_type="FULL" CCP4version="6.1.3" DCC_R="0.18" DCC_Rfree="0.21" DCC_refinement_program="REFMAC" DataAnisotropy="0.735" DataCompleteness="96.00" EDS_R="0.18" EDS_resolution="2.15" EDS_resolution_low="29.65" Fo_Fc_correlation="0.962" IoverSigma="1.73(2.16A)" PDB-revision-number="3" RefmacVersion="5.8.0049" TransNCS="The largest off-origin peak in the Patterson function is 8.17% of the height of the origin peak. No significant pseudotranslation is detected." TwinL="0.482" TwinL2="0.312" WilsonBaniso="[35.693,51.472,24.198,0.000,-3.425,0.000]" WilsonBestimate="34.706" XMLcreationDate="Dec 18, 2014 -- 12:26 AM EST" absolute-percentile-DCC_Rfree="80.6" absolute-percentile-clashscore="90.8" absolute-percentile-percent-RSRZ-outliers="71.8" absolute-percentile-percent-rama-outliers="100.0" absolute-percentile-percent-rota-outliers="83.5" acentric_outliers="0" angles_rmsz="0.63" attemptedValidationSteps="mogul,xtriage,molprobity,validation-pack,eds,percentiles,writexml" bonds_rmsz="0.51" bulk_solvent_b="41.580" bulk_solvent_k="0.379" centric_outliers="0" clashscore="2.02" high-resol-relative-percentile-DCC_Rfree="2.14" high-resol-relative-percentile-clashscore="2.14" high-resol-relative-percentile-percent-RSRZ-outliers="2.14" high-resol-relative-percentile-percent-rama-outliers="2.14" high-resol-relative-percentile-percent-rota-outliers="2.14" low-resol-relative-percentile-DCC_Rfree="2.18" low-resol-relative-percentile-clashscore="2.18" low-resol-relative-percentile-percent-RSRZ-outliers="2.18" low-resol-relative-percentile-percent-rama-outliers="2.18" low-resol-relative-percentile-percent-rota-outliers="2.18" no-ligands-for-mogul="yes" num-H-reduce="1718" num-free-reflections="532" numMillerIndices="11242" numPDBids-absolute-percentile-DCC_Rfree="66092" numPDBids-absolute-percentile-clashscore="79885" numPDBids-absolute-percentile-percent-RSRZ-outliers="66119" numPDBids-absolute-percentile-percent-rama-outliers="78287" numPDBids-absolute-percentile-percent-rota-outliers="78261" numPDBids-relative-percentile-DCC_Rfree="1094" numPDBids-relative-percentile-clashscore="1299" numPDBids-relative-percentile-percent-RSRZ-outliers="1094" numPDBids-relative-percentile-percent-rama-outliers="1272" numPDBids-relative-percentile-percent-rota-outliers="1272" num_angles_rmsz="2448" num_bonds_rmsz="1802" pdbid="4E72" percent-RSRZ-outliers="1.38" percent-free-reflections="4.97" percent-rama-outliers="0.00" percent-rota-outliers="1.10" relative-percentile-DCC_Rfree="91.5" relative-percentile-clashscore="91.1" relative-percentile-percent-RSRZ-outliers="77.3" relative-percentile-percent-rama-outliers="100.0" relative-percentile-percent-rota-outliers="88.9" xtriage_input_columns="F_meas_au,F_meas_sigma_au"/>
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	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="50.400" phi="79.1" psi="1.0" rama="Favored" resname="GLY" resnum="44" rscc="0.943" rsr="0.217" rsrz="1.671" said="A" seq="22"/>
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		<clash atom="HB3" cid="0" clashmag="0.54" dist="2.48"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="9" altcode="B" avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="52.480" phi="-94.7" psi="130.4" rama="Favored" resname="CYS" resnum="45" rota="t" rscc="0.901" rsr="0.198" rsrz="1.942" said="A" seq="23">
		<clash atom="HB2" cid="5" clashmag="0.40" dist="2.61"/>
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		<clash atom="SG" cid="0" clashmag="0.54" dist="2.48"/>
		<clash atom="SG" cid="5" clashmag="0.40" dist="2.61"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="35.090" phi="-53.8" psi="140.4" rama="Favored" resname="PRO" resnum="51" rota="Cg_exo" rscc="0.959" rsr="0.087" rsrz="-0.462" said="A" seq="29"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="42.020" resname="HOH" resnum="329" rscc="0.881" rsr="0.191" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="35.050" resname="HOH" resnum="330" rscc="0.947" rsr="0.265" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="34.120" resname="HOH" resnum="331" rscc="0.913" rsr="0.181" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="52.710" resname="HOH" resnum="332" rscc="0.858" rsr="0.482" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="42.890" resname="HOH" resnum="333" rscc="0.958" rsr="0.110" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="67.550" resname="HOH" resnum="334" rscc="0.826" rsr="0.287" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="48.290" resname="HOH" resnum="335" rscc="0.851" rsr="0.175" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="49.030" resname="HOH" resnum="336" rscc="0.857" rsr="0.193" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="38.870" resname="HOH" resnum="337" rscc="0.953" rsr="0.125" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="41.510" resname="HOH" resnum="338" rscc="0.962" rsr="0.094" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="37.480" resname="HOH" resnum="339" rscc="0.926" rsr="0.101" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="41.370" resname="HOH" resnum="340" rscc="0.891" rsr="0.102" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="36.080" resname="HOH" resnum="341" rscc="0.937" rsr="0.166" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="64.450" resname="HOH" resnum="342" rscc="0.594" rsr="0.914" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="49.730" resname="HOH" resnum="343" rscc="0.963" rsr="0.185" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="40.140" resname="HOH" resnum="344" rscc="0.948" rsr="0.154" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="43.510" resname="HOH" resnum="345" rscc="0.937" rsr="0.174" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="50.370" resname="HOH" resnum="346" rscc="0.723" rsr="0.645" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="63.350" resname="HOH" resnum="347" rscc="0.899" rsr="0.340" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="43.120" resname="HOH" resnum="348" rscc="0.955" rsr="0.120" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="41.500" resname="HOH" resnum="349" rscc="0.927" rsr="0.286" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" owab="37.460" resname="HOH" resnum="350" rscc="0.949" rsr="0.120" said="B" seq="."/>
	<ModelledEntityInstance absolute_RSRZ_percentile="71.81" absolute_rama_percentile="100.00" absolute_sidechain_percentile="83.54" angles_rmsz="0.63" bonds_rmsz="0.51" chain="A" ent="1" model="1" num_angles_rmsz="2448" num_bonds_rmsz="1802" relative_RSRZ_percentile="77.33" relative_rama_percentile="100.00" relative_sidechain_percentile="88.92" said="A"/>
	<programs>
		<program name="validation-pipeline" properties="pdbid,PDB-revision-number,attemptedValidationSteps,XMLcreationDate" version="stable24195"/>
		<program name="eds" properties="percent-RSRZ-outliers,rscc,rsr,NatomsEDS,relative_RSRZ_percentile,rsrz,Fo_Fc_correlation,owab,EDS_R,bulk_solvent_k,DataCompleteness,avgoccu,EDS_resolution_low,EDS_resolution,RefmacVersion,absolute_RSRZ_percentile,CCP4version,bulk_solvent_b" version="stable24195"/>
		<program name="dcc" properties="DCC_refinement_program,num-free-reflections,DCC_R,B_factor_type,percent-free-reflections,DCC_Rfree" version="2.09  (2014-09-06)"/>
		<program name="percentiles" properties="numPDBids-absolute-percentile-percent-rota-outliers,high-resol-relative-percentile-percent-rota-outliers,absolute-percentile-percent-RSRZ-outliers,relative-percentile-percent-rama-outliers,absolute-percentile-percent-rama-outliers,absolute-percentile-clashscore,absolute-percentile-percent-rota-outliers,relative-percentile-clashscore,high-resol-relative-percentile-percent-rama-outliers,numPDBids-relative-percentile-percent-RSRZ-outliers,numPDBids-relative-percentile-DCC_Rfree,absolute-percentile-DCC_Rfree,relative-percentile-DCC_Rfree,relative-percentile-percent-RSRZ-outliers,low-resol-relative-percentile-percent-RSRZ-outliers,numPDBids-relative-percentile-percent-rama-outliers,numPDBids-relative-percentile-clashscore,high-resol-relative-percentile-clashscore,numPDBids-absolute-percentile-percent-RSRZ-outliers,low-resol-relative-percentile-clashscore,numPDBids-relative-percentile-percent-rota-outliers,low-resol-relative-percentile-percent-rama-outliers,low-resol-relative-percentile-percent-rota-outliers,numPDBids-absolute-percentile-clashscore,numPDBids-absolute-percentile-percent-rama-outliers,low-resol-relative-percentile-DCC_Rfree,high-resol-relative-percentile-percent-RSRZ-outliers,numPDBids-absolute-percentile-DCC_Rfree,relative-percentile-percent-rota-outliers,high-resol-relative-percentile-DCC_Rfree" version="21963"/>
		<program name="mogul" properties="no-ligands-for-mogul" version="1.16 November 2013"/>
		<program name="xtriage" properties="xtriage_input_columns,numMillerIndices,DataAnisotropy,TransNCS,centric_outliers,TwinL,acentric_outliers,WilsonBestimate,TwinL2,IoverSigma,WilsonBaniso" version="dev-1439"/>
		<program name="validation-pack" properties="" version="unknown"/>
		<program name="molprobity" properties="bond-outlier,relative_rama_percentile,phi,psi,clash,angle-outlier,num_bonds_rmsz,absolute_sidechain_percentile,relative_sidechain_percentile,clashscore,bonds_rmsz,percent-rama-outliers,num-H-reduce,rota,num_angles_rmsz,angles_rmsz,percent-rota-outliers,rama,absolute_rama_percentile" version="4.02b-467"/>
	</programs>
</wwPDB-validation-information>
