PDB-7q4g: Structure of coproheme decarboxylase from Corynebacterium dipthth...

ID or keywords:

Entry

Database: PDB / ID: 7q4g

Title

Structure of coproheme decarboxylase from Corynebacterium dipththeriae Y135A mutant in complex with coproheme

Components

Coproheme decarboxylase from Corynebacterium diphtheriae Y135A mutant in complex with coproheme

Keywords

BIOSYNTHETIC PROTEIN / coproheme decarboxylase / coproporphyrin dependent heme b biosynthesis / porphyrin binding alpha-beta barrel protein

Function / homology

Heme-dependent peroxidase ChdC/CLD / Chlorite dismutase / Dimeric alpha-beta barrel / oxidoreductase activity / heme binding / Chem-FEC / DI(HYDROXYETHYL)ETHER / Uncharacterized protein

Function and homology information

Biological species

Corynebacterium diphtheriae (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.82 Å

Authors

Michlits, H. / Valente, N. / Mlynek, G. / Hofbauer, S.

Funding support

Austria, 1items

Citation

Journal: Front Bioeng Biotechnol / Year: 2021
Title: Initial Steps to Engineer Coproheme Decarboxylase to Obtain Stereospecific Monovinyl, Monopropionyl Deuterohemes.
Authors: Michlits, H. / Valente, N. / Mlynek, G. / Hofbauer, S.

History

Deposition	Oct 30, 2021	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Feb 23, 2022	Provider: repository / Type: Initial release
Revision 1.1	Jan 31, 2024	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7q4g.cif.gz	848.7 KB	Display	PDBx/mmCIF format
PDB format	pdb7q4g.ent.gz	591.2 KB	Display	PDB format
PDBx/mmJSON format	7q4g.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	7q4g_validation.pdf.gz	2.6 MB	Display	wwPDB validaton report
Full document	7q4g_full_validation.pdf.gz	2.6 MB	Display
Data in XML	7q4g_validation.xml.gz	53.9 KB	Display
Data in CIF	7q4g_validation.cif.gz	76.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/q4/7q4g ftp://data.pdbj.org/pub/pdb/validation_reports/q4/7q4g	HTTPS FTP

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Related structure data

Related structure data	7q4fC 6xucS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6xuc-d 7q4f-d 6xub-d 3dtz-d 5loq-d 6vsa-d 6fxj-d 6fxq-d Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Coproheme decarboxylase from Corynebacterium diphtheriae Y135A mutant in complex with coproheme

B: Coproheme decarboxylase from Corynebacterium diphtheriae Y135A mutant in complex with coproheme

C: Coproheme decarboxylase from Corynebacterium diphtheriae Y135A mutant in complex with coproheme

D: Coproheme decarboxylase from Corynebacterium diphtheriae Y135A mutant in complex with coproheme

E: Coproheme decarboxylase from Corynebacterium diphtheriae Y135A mutant in complex with coproheme

hetero molecules

140 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author
Evidence: light scattering

Unit cell

Length a, b, c (Å)	61.117, 123.517, 78.300
Angle α, β, γ (deg.)	90.000, 98.020, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb
Symmetry operation	#1: x,y,z #2: -x,y+1/2,-z

#1: Protein	Coproheme decarboxylase from Corynebacterium diphtheriae Y135A mutant in complex with coproheme Mass: 27196.865 Da / Num. of mol.: 5 / Mutation: Y135A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Corynebacterium diphtheriae (bacteria) / Gene: BT093_04375 / Production host: Escherichia coli (E. coli) / Strain (production host): Tuner / References: UniProt: A0A2T1BSE4
#2: Chemical	ChemComp-FEC / 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX / FE-COPROPORPHYRIN III Mass: 708.538 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₃₆H₃₆FeN₄O₈ / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 841 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.19 Å³/Da / Density % sol: 43.83 %
Crystal grow	Temperature: 295.15 K / Method: vapor diffusion, sitting drop / Details: PEG 3350, MgCl2, Sodium Phosphate

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 1.0723 Å
Detector	Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Nov 23, 2018 / Details: Toroidal mirror
Radiation	Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.0723 Å / Relative weight: 1
Reflection	Resolution: 1.82→48.31 Å / Num. obs: 659722 / % possible obs: 97.65 % / Redundancy: 6.6 % / B_iso Wilson estimate: 27.41 Å² / CC_1/2: 0.995 / R_merge(I) obs: 0.1912 / R_pim(I) all: 0.0796 / R_rim(I) all: 0.2074 / Net I/σ(I): 5.73
Reflection shell	Resolution: 1.82→1.885 Å / Redundancy: 4.6 % / Num. unique obs: 8371 / CC_1/2: 0.221 / R_pim(I) all: 0.9429 / R_rim(I) all: 2.079 / % possible all: 81.68

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Processing

Software

Name	Version	Classification
PHENIX	dev_4380	refinement
XDS		data reduction
PDB-REDO		refinement
PHASER		phasing
Coot		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 6XUC

6xuc

Resolution: 1.82→48.31 Å / SU ML: 0.2659 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 25.0619
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2194	2100	2.09 %
R_work	0.1729	98377	-
obs	0.1739	100477	97.47 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 35.54 Å²

Refinement step

Cycle: LAST / Resolution: 1.82→48.31 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9334	0	252	841	10427

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0153	9954
X-RAY DIFFRACTION	f_angle_d	1.047	13568
X-RAY DIFFRACTION	f_chiral_restr	0.1118	1358
X-RAY DIFFRACTION	f_plane_restr	0.0127	1764
X-RAY DIFFRACTION	f_dihedral_angle_d	9.5689	1383

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
1.82-1.88	0.3821	110	0.3764	8240	X-RAY DIFFRACTION	80.21
1.86-1.91	0.3671	126	0.3275	5924	X-RAY DIFFRACTION	88.03
1.91-1.96	0.3274	140	0.2844	6540	X-RAY DIFFRACTION	97.56
1.96-2.02	0.2754	142	0.2445	6666	X-RAY DIFFRACTION	99.94
2.02-2.08	0.2703	144	0.2245	6714	X-RAY DIFFRACTION	99.99
2.08-2.16	0.2652	143	0.211	6732	X-RAY DIFFRACTION	99.96
2.16-2.24	0.2479	144	0.2057	6716	X-RAY DIFFRACTION	99.91
2.24-2.34	0.2236	143	0.1889	6703	X-RAY DIFFRACTION	99.93
2.34-2.47	0.2564	144	0.1764	6724	X-RAY DIFFRACTION	99.93
2.47-2.62	0.2396	143	0.1728	6727	X-RAY DIFFRACTION	99.97
2.62-2.82	0.2226	144	0.1658	6713	X-RAY DIFFRACTION	99.99
2.82-3.11	0.2227	143	0.1613	6738	X-RAY DIFFRACTION	99.99
3.11-3.56	0.1956	143	0.1451	6752	X-RAY DIFFRACTION	99.97
3.56-4.48	0.1559	144	0.1259	6741	X-RAY DIFFRACTION	99.97
4.48-48.31	0.1983	147	0.1562	6837	X-RAY DIFFRACTION	99.86

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	5.05300680332	0.147735684911	1.92815490001	1.94421298838	0.564556336528	2.76550007022	-0.0559677545917	0.0445570111712	0.209993323456	-0.137458054847	-0.042393331282	-0.0375324347393	0.0144720996881	0.0515876665218	0.127430506562	0.188635431739	0.0116186237254	0.0758390340923	0.17145079951	0.0188539392358	0.177037023319	-7.70129173052	18.3841403683	-43.6596374389
2	2.83041665488	0.534679523016	0.586556659195	1.89916950954	0.0820032896739	0.256509087985	-0.0657087163207	0.503880208228	-0.189297589066	-0.215454394764	0.0549525253676	-0.328891048931	0.0602134434908	0.378719026922	0.00154026019389	0.201505750554	-0.0132287790664	0.0689856187065	0.363217244428	0.013994215022	0.247989287683	-0.99035734612	18.9831966333	-43.6845807177
3	2.18724882938	0.0750759452853	0.0440139385176	1.61444917299	-0.0227853221767	1.15356798036	0.00753055950808	0.152314903196	-0.117829133169	-0.163045357262	0.0162722096968	-0.00735028994978	0.0180333719834	0.0942827149458	-0.0222818708896	0.188422687177	-0.0175064842035	0.0279566473363	0.216771479862	-0.0112371731076	0.172214280738	-14.3108908671	19.2492608736	-42.2664401557
4	4.76474817421	6.20849314536	-1.24055322643	8.20663915214	-1.42700943998	5.29282391488	0.0127697239111	0.68963257756	0.92786172893	-0.363807025458	0.148070198308	0.819915459612	-0.233513750957	-0.322280366675	-0.200098095439	0.195153053711	0.0282196609244	-0.0326180340409	0.314178683318	0.0704143017344	0.340990844563	-31.1115591429	34.0457437192	-44.6834059959
5	0.680862487301	-0.14684155884	0.0964913011989	1.60420233723	-0.136805844776	0.907392448392	-0.00309153509328	0.173034245199	0.0577521827655	-0.106492507479	-0.0389624626913	-0.0915588025972	-0.127862414378	0.145077624965	0.0336137021792	0.136349120371	-0.0213232465206	0.0114824409203	0.196227922303	0.0194755918622	0.183699875073	-14.0174477227	29.3352193548	-38.7871956463
6	5.91493252831	2.37451317095	-0.328796783279	4.8356608347	-0.0272120300931	2.7429649783	0.177070465555	0.282484264043	0.265160461259	0.232692947407	-0.102543390976	0.373357209872	0.340294352875	-0.050575164586	-0.0757613699882	0.376688852058	0.0854065832903	0.0253517546204	0.181537196151	0.00125558336637	0.185184238931	-17.8032094461	-5.33593681985	-27.9382553001
7	2.93656193424	-0.0610671746142	0.0538703289074	2.88059800368	-0.421621317735	2.39539631188	-0.0329996229407	0.141328886698	-0.62557071925	0.049144631504	-0.0830222842348	-0.30790227581	0.666334948337	0.326413278257	0.0797302257666	0.354330741545	0.0822962640781	0.0336558053075	0.223597595274	-0.0531510030783	0.321215741491	-11.623850429	-7.080494061	-30.2299130764
8	1.61069918882	-0.465741919745	-0.597559919539	1.33193014758	0.143696324918	1.5636306092	-0.0224254928074	0.049261971813	-0.266814857432	0.0495797961938	-0.0177455440807	0.121187490885	0.345684570178	-0.081294429544	0.0351322212304	0.292444240758	-0.0157527395529	0.0151485264686	0.18242844813	-0.0122703239954	0.289859842549	-23.3877187166	-1.82809389012	-26.2253731912
9	4.61740043477	0.984333235012	-4.6734377113	3.74320102996	-1.08649438287	4.7315099797	-0.2412364834	0.351912090833	-0.580344008937	-0.0436154064695	-0.117456542141	1.05186380675	0.352047657616	-1.11550841182	0.404218457993	0.231840159674	-0.0487377774448	-0.0119758144309	0.359925999081	-0.00927986841626	0.481898659537	-43.6972223209	7.58437676722	-32.7872369338
10	0.320717693709	0.0987090880847	-0.267301370751	2.05405598489	1.21404812873	9.83231700109	-0.0114843778791	0.0248421744477	-0.159967763424	-0.074811199787	0.0737158575355	0.115012881147	0.269163448842	-0.16895955631	-0.0548333175026	0.187418403848	-0.0342351495678	-0.00587929625958	0.188990927156	-0.0139719266665	0.30129147652	-28.18012714	2.13169615234	-32.9503727108
11	5.25702598641	-5.26639707484	-2.94308358569	7.58954007235	2.89437026807	4.30876865384	-0.246207559119	0.316392742792	-0.629480036106	0.0518896865009	-0.0585919483747	0.621950954245	0.294878962913	-0.317820958949	0.270079359273	0.166245537905	-0.0553177872035	-0.0213012622944	0.19121779568	-0.0215065376905	0.237047929737	-27.6218102257	10.1711987013	-42.1496875897
12	3.42305710352	-0.394941944226	0.0922045670484	1.92019243437	-0.226615629626	2.23378169452	-0.0913329770023	0.172631841178	-0.37682066703	-0.0719171936115	0.0213541090303	0.00183148222275	0.333590675958	0.283383684839	0.0761506767334	0.180704897648	0.0023366837265	0.017253464846	0.161827158214	-0.0108953329906	0.180022632553	-18.755515338	5.63364300973	-33.9013039821
13	4.47043102456	-2.62289459336	2.33856442194	4.54661049167	-1.7708385827	4.57407211566	-0.191292262962	-0.0124339114788	0.229275130726	0.378217759496	0.113658320133	-0.227752919269	-0.325776733723	0.293190945237	0.121293018697	0.221148963287	-0.0837613328243	0.0143008122727	0.253437284089	-0.0172307227979	0.261761977266	-0.831292383898	41.174085387	-23.9819655978
14	4.3703512936	-1.18145396835	-0.610801148834	0.95356782029	1.31638585437	2.19332628188	0.0345112896039	0.200726166165	0.408628977981	0.0416252478533	0.00425763895761	-0.686278540174	-0.43900969392	0.626460408245	-0.0351313437529	0.282908060385	-0.139279187591	-0.0902498363902	0.400368863664	0.0665953776487	0.501222372644	9.97773528957	41.3291864511	-22.1919975111
15	1.16200234855	-0.200657434432	0.0794838414867	1.29059767723	-0.325440406518	1.29082247043	-0.0118856834246	0.0980115725034	0.200354112913	0.114620317192	-0.0550842253458	-0.196301873339	-0.257452836963	0.216813424663	0.0704968760378	0.221507810761	-0.0446397822238	-0.014084764455	0.185791291783	0.018250821882	0.258388600268	-6.51249796064	39.7739843018	-23.9927171777
16	9.79256749807	3.84833666677	6.06233629979	5.67769955513	3.8003120781	4.29534993601	-0.251565495543	-0.237178479662	0.67044956014	0.205272831484	-0.0666741667697	0.374585505046	-0.775809940709	-0.579916518522	0.412147266053	0.414115514226	0.0794939671904	0.0443201435241	0.210164578011	0.0376440359627	0.338343328646	-28.1918461504	50.3928215148	-22.1116652474
17	1.4428322614	2.2017978765	0.82834551809	6.1342041952	4.58966024565	7.39479902969	0.0960154458015	0.00904206310485	0.10053490153	0.228468623869	-0.095860960873	-0.0193115252568	-0.341747953807	-0.00214780217871	-0.0107451005655	0.216282137755	0.0125499140005	-0.00755081941686	0.164139320165	0.0500723487462	0.255085952055	-12.9668005409	44.8716033292	-19.6758079048
18	4.56818208081	1.01035317749	1.71612678514	1.70219036596	-1.48868618372	3.14860500808	-0.166597837592	0.0409288633509	0.153191113598	-0.0451033647625	0.0909714872376	-0.0499507652509	-0.771083026801	0.0804693114797	0.0572771600224	0.434085501112	-0.0126010214379	0.00115117050375	0.165563879861	-0.0387329168183	0.287577447265	-16.9655329982	45.3227329845	-8.022745642
19	7.29634778217	-1.02177320886	0.640333062532	1.5834494689	-0.361579550128	1.46184924079	-0.0567578092729	0.0562347797522	-0.0277666700633	0.0504585209487	0.0152903765068	-0.0116019563721	-0.0878754949238	-0.0143554814586	0.0263774590459	0.234913589547	0.00638458512195	0.0236001522799	0.16530085214	0.0135761693945	0.2061227598	-19.3870934329	38.1929616492	-15.9840494153
20	5.37979647384	-3.19121221341	1.51112226253	5.17007666547	-1.0759632067	1.63379526345	-0.265967157916	0.136823986036	0.553985389255	1.06795441202	0.128949887112	-1.27433101547	-0.422035122335	0.865748494253	0.163269696985	0.412840121792	-0.0815988738567	-0.161085385901	0.458538099769	-0.0321489424138	0.496510568463	8.50832580019	38.1015019053	-11.0889619037
21	2.87879019293	-0.776692576899	-0.256020835644	5.16962869898	0.37184518002	2.2999943092	-0.115635118153	-0.232253952741	0.335763022358	0.0921207131198	0.22445105983	-0.734123606938	-0.189273176404	0.307909748177	-0.0861859740035	0.217942051562	0.00472518862333	-0.0238141592743	0.226669398151	-0.0379455699062	0.253570147146	-3.19899556716	28.7582774537	5.00617898872
22	2.02807413778	-1.15453031328	0.97571607291	2.09235488808	-0.343407789033	1.18056281285	-0.0944668793867	-0.247901428979	0.24903151653	0.0726986266132	0.0948595077811	-0.123762498376	-0.158587301178	-0.133154597641	-0.00357068863557	0.297419567938	-0.00324665088457	0.0298520108263	0.213990241667	-0.0334742212569	0.227658301973	-17.5077720339	32.8264876343	1.6335039272
23	3.64200555332	-2.07314872893	2.27632917805	7.33028737782	-3.47525885622	2.93392620433	-0.271058347663	-0.514852025038	0.171177254975	0.540564300954	0.366235633479	0.556691863748	-0.892978689326	-0.721548579162	-0.147404575494	0.370551648729	0.123812459462	0.0250245232361	0.368992453958	-0.0914734054167	0.326848734882	-34.9940575715	34.7775495582	4.40001897223
24	1.72288660234	0.0490278613862	0.282684973447	0.605204723324	0.0508358425613	1.65715700473	-0.0695270229367	-0.196940061484	0.0174612235942	0.167322817888	0.0384936130606	-0.022499657778	0.0261139208328	-0.0297997108974	0.0266206598594	0.264030673471	0.0198821755427	0.0308561369972	0.173638143547	-0.0118183633338	0.185807467426	-19.4881375187	24.667328948	3.46422570991
25	2.56699483087	0.260762914092	1.93370751741	4.40860970308	-0.210599517098	1.61923033712	-0.031779294143	-0.487601869795	-0.0862044456278	0.701004719574	0.0658635847318	0.443436672905	0.332826129788	-0.510440967684	-0.0540779074247	0.392098711166	-0.0168181965617	0.0121002820876	0.293263489775	0.0460482358502	0.247742646456	-22.6529825601	4.85862553688	5.20901312
26	2.57830863262	-1.03122943965	1.74900569079	6.60487670471	-1.52080597828	4.92047816807	0.110892853231	0.0275381778276	-0.6489867207	0.317628806474	-0.056582489448	-0.27498631643	0.716219161075	0.53220276965	-0.0425874964918	0.379467713063	0.10579065628	-0.0782414588246	0.276581022344	-0.00998933140433	0.406474433091	-3.37033191769	-6.11715016922	-0.145395679603
27	1.69879188882	-0.0477997602497	0.678766605586	2.09000896439	1.09541515217	2.15389899452	-0.0171990077119	-0.197756548222	-0.26003234177	0.426557215589	0.0883806760732	-0.0934067812762	0.389345778716	0.0723948587159	-0.0564843736839	0.337933577829	0.0334902916481	0.0111464758778	0.175864708771	0.0553861020811	0.247902427037	-12.5392338861	3.06787273294	0.205988866192
28	0.410017148746	-0.0408315625399	0.824674623318	0.177105825141	-0.0833149645702	1.68590005671	-0.177676631981	-0.206205188967	0.0718198118665	-0.0759513587111	-0.0836118228122	0.892588503823	0.0158931572286	-0.537317498096	0.294088605843	0.593133447236	-0.130668230022	0.113227933791	0.429479749524	0.0305111612667	0.721040843798	-33.1478080391	2.12730362665	4.71504690463
29	2.71473201733	-2.07556174224	0.195544964287	6.97096813851	0.42675000164	2.45015847329	0.037796770775	-0.177263961395	-0.0105917430946	-0.0253134142762	0.0215244252469	0.3515388154	0.0233401403168	-0.270724734869	-0.0588075087402	0.208363333277	-0.0448843183379	0.0395094311496	0.181009636084	0.00862977563002	0.198172422748	-32.4743798294	12.5795682563	-6.74102695042
30	4.65189628129	-1.97971181951	-1.74294830941	4.770146493	4.91686921984	5.09481990083	-0.10804339609	-0.225289454341	-0.232307237666	0.417526552278	-0.295437881546	1.51219963275	0.143727329427	-0.86944048216	0.47990912298	0.286629942112	0.0181802183073	0.104293598894	0.461743797031	0.0685652532584	0.469979685463	-44.9711550555	9.95579784266	-4.57173996887
31	8.17036743856	7.65196463687	6.95361534514	8.74778949347	7.21865378943	8.08198365937	-0.0778544649943	-0.459386455659	0.0552745609019	0.122722487685	-0.222740751808	0.594168033869	0.338803566884	-0.840685875797	0.231042956082	0.363939259583	-0.0461842835011	0.111729879115	0.359464347446	0.0570320164482	0.382012821729	-35.2758959806	-1.58884318713	-4.31302623986
32	1.58549014886	0.711844318285	1.25869734927	1.43812594784	0.255459631075	2.7900872684	0.0735223595055	-0.119069463816	-0.106237360288	0.112964156128	-0.0602737234805	0.0364549831984	0.245669043145	-0.195464163019	-0.00123477916918	0.184422280667	-0.0159972130412	0.0696425049621	0.171441402099	0.00790678537621	0.219257324086	-31.3023046851	6.30505264521	-9.70011375998
33	7.27519797242	-2.26384990856	0.0788093163879	5.06864303681	0.0336089503414	2.67007105882	0.0216410051444	-0.0816149925305	-0.898631740822	0.21339088295	-0.00766763606439	-0.269315115746	0.775755707994	0.310702266638	-0.0102624591399	0.431577740756	0.0563890667764	-0.0162815111867	0.211193690535	-0.0102286770975	0.360501495674	-12.9280621338	-6.86119751292	-8.00289299465

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 6 through 33 )	A	A	6 - 33	1 - 28
2	2	chain 'A' and (resid 34 through 78 )	A	A	34 - 78	29 - 73
3	3	chain 'A' and (resid 79 through 147 )	A	A	79 - 147	74 - 142
4	4	chain 'A' and (resid 148 through 165 )	A	A	148 - 165	143 - 160
5	5	chain 'A' and (resid 166 through 235 )	A	A	166 - 235	161 - 230
6	6	chain 'B' and (resid 6 through 33 )	B	C	6 - 33	1 - 28
7	7	chain 'B' and (resid 34 through 78 )	B	C	34 - 78	29 - 73
8	8	chain 'B' and (resid 79 through 147 )	B	C	79 - 147	74 - 142
9	9	chain 'B' and (resid 148 through 162 )	B	C	148 - 162	143 - 157
10	10	chain 'B' and (resid 163 through 191 )	B	C	163 - 191	158 - 186
11	11	chain 'B' and (resid 192 through 203 )	B	C	192 - 203	187 - 198
12	12	chain 'B' and (resid 204 through 235 )	B	C	204 - 235	199 - 230
13	13	chain 'C' and (resid 5 through 33 )	C	E	5 - 33	1 - 29
14	14	chain 'C' and (resid 34 through 60 )	C	E	34 - 60	30 - 56
15	15	chain 'C' and (resid 61 through 147 )	C	E	61 - 147	57 - 143
16	16	chain 'C' and (resid 148 through 162 )	C	E	148 - 162	144 - 158
17	17	chain 'C' and (resid 163 through 191 )	C	E	163 - 191	159 - 187
18	18	chain 'C' and (resid 192 through 203 )	C	E	192 - 203	188 - 199
19	19	chain 'C' and (resid 204 through 221 )	C	E	204 - 221	200 - 217
20	20	chain 'C' and (resid 222 through 235 )	C	E	222 - 235	218 - 231
21	21	chain 'D' and (resid 6 through 92 )	D	H	6 - 92	1 - 87
22	22	chain 'D' and (resid 93 through 147 )	D	H	93 - 147	88 - 142
23	23	chain 'D' and (resid 148 through 165 )	D	H	148 - 165	143 - 160
24	24	chain 'D' and (resid 166 through 235 )	D	H	166 - 235	161 - 230
25	25	chain 'E' and (resid 8 through 24 )	E	J	8 - 24	1 - 17
26	26	chain 'E' and (resid 25 through 50 )	E	J	25 - 50	18 - 43
27	27	chain 'E' and (resid 51 through 108 )	E	J	51 - 108	44 - 101
28	28	chain 'E' and (resid 109 through 130 )	E	J	109 - 130	102 - 123
29	29	chain 'E' and (resid 131 through 147 )	E	J	131 - 147	124 - 140
30	30	chain 'E' and (resid 148 through 162 )	E	J	148 - 162	141 - 155
31	31	chain 'E' and (resid 163 through 174 )	E	J	163 - 174	156 - 167
32	32	chain 'E' and (resid 175 through 216 )	E	J	175 - 216	168 - 209
33	33	chain 'E' and (resid 217 through 235 )	E	J	217 - 235	210 - 228

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