PDB-7mci: MoFe protein from Azotobacter vinelandii with a sulfur-replenishe...

ID or keywords:

Entry

Database: PDB / ID: 7mci

Title

MoFe protein from Azotobacter vinelandii with a sulfur-replenished cofactor

Components

(Nitrogenase molybdenum-iron protein ...) x 2

Keywords

OXIDOREDUCTASE / Azotobacter vinelandii / MoFe-protein / nitrogenase

Function / homology

Function and homology information

molybdenum-iron nitrogenase complex / nitrogenase / : / nitrogenase activity / nitrogen fixation / iron-sulfur cluster binding / ATP binding / metal ion binding
Similarity search - Function

Biological species

Azotobacter vinelandii DJ (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.65 Å

Authors

Kang, W. / Lee, C. / Hu, Y. / Ribbe, M.W.

Funding support

United States, 2items

Organization	Grant number	Country
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	GM67626	United States
Department of Energy (DOE, United States)	DE-SC0016510	United States

Citation

Journal: Nat Catal / Year: 2022
Title: Evidence of substrate binding and product release via belt-sulfur mobilization of the nitrogenase cofactor
Authors: Lee, C.C. / Kang, W. / Jasniewski, A.J. / Stiebritz, M.T. / Tanifuji, K. / Ribbe, M.W. / Hu, Y.

History

Deposition	Apr 2, 2021	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 18, 2022	Provider: repository / Type: Initial release
Revision 1.1	Jun 8, 2022	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.title / _citation.year
Revision 1.2	Oct 18, 2023	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	7mci.cif.gz	915.6 KB	Display	PDBx/mmCIF format
PDB format	pdb7mci.ent.gz	666.1 KB	Display	PDB format
PDBx/mmJSON format	7mci.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	7mci_validation.pdf.gz	3.5 MB	Display	wwPDB validaton report
Full document	7mci_full_validation.pdf.gz	3.6 MB	Display
Data in XML	7mci_validation.xml.gz	82.4 KB	Display
Data in CIF	7mci_validation.cif.gz	122.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/mc/7mci ftp://data.pdbj.org/pub/pdb/validation_reports/mc/7mci	HTTPS FTP

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Related structure data

Related structure data	3u7qS S: Starting model for refinement
Similar structure data	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
Related items in Molecule of the Month	#26 - Feb 2002 Nitrogenase similarity (15)

Deposited unit

A: Nitrogenase molybdenum-iron protein alpha chain

B: Nitrogenase molybdenum-iron protein beta chain

C: Nitrogenase molybdenum-iron protein alpha chain

D: Nitrogenase molybdenum-iron protein beta chain

hetero molecules

235 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	166.834, 73.995, 208.766
Angle α, β, γ (deg.)	90.000, 103.051, 90.000
Int Tables number	5
Space group name H-M	C121
Space group name Hall	C2y
Symmetry operation	#1: x,y,z #2: -x,y,-z #3: x+1/2,y+1/2,z #4: -x+1/2,y+1/2,-z

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Nitrogenase molybdenum-iron protein ... , 2 types, 4 molecules ACBD

#1: Protein	Nitrogenase molybdenum-iron protein alpha chain / Dinitrogenase / Nitrogenase component I Mass: 55363.043 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Azotobacter vinelandii DJ (bacteria) / References: UniProt: P07328, nitrogenase
#2: Protein	Nitrogenase molybdenum-iron protein beta chain / Dinitrogenase Mass: 59535.879 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Azotobacter vinelandii DJ (bacteria) / References: UniProt: C1DGZ8, nitrogenase

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Non-polymers , 8 types, 1417 molecules

#3: Chemical	ChemComp-HCA / 3-HYDROXY-3-CARBOXY-ADIPIC ACID Mass: 206.150 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₇H₁₀O₇ / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-ICS / iron-sulfur-molybdenum cluster with interstitial carbon Mass: 787.451 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: CFe₇MoS₉ / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical	ChemComp-H2S / HYDROSULFURIC ACID / HYDROGEN SULFIDE Mass: 34.081 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: H₂S
#6: Chemical	ChemComp-MO / MOLYBDENUM ATOM Mass: 95.940 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mo
#7: Chemical	ChemComp-CLF / FE(8)-S(7) CLUSTER Mass: 671.215 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Fe₈S₇ / Feature type: SUBJECT OF INVESTIGATION
#8: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C₃H₈O₃
#9: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Ca
#10: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1390 / Source method: isolated from a natural source / Formula: H₂O

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Details

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: 2.78 Å³/Da / Density % sol: 55.71 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5 Details: 0.1M CHC (pH5), 0.16M ammonium acetate, 25.6% (v/v) glycerol, 2% MPD, 0.1M CsCl, 1mM Dithiothreitol, 5mM Eu-EGTA, 16% PEG smear high

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 0.88557 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Dec 7, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.88557 Å / Relative weight: 1
Reflection	Resolution: 1.65→38.94 Å / Num. obs: 292285 / % possible obs: 98.4 % / Redundancy: 3.5 % / B_iso Wilson estimate: 19.78 Å² / CC_1/2: 0.991 / R_pim(I) all: 0.089 / Net I/σ(I): 3.4
Reflection shell	Resolution: 1.65→1.68 Å / Redundancy: 3.5 % / Mean I/σ(I) obs: 0.6 / Num. unique obs: 14452 / CC_1/2: 0.628 / R_pim(I) all: 0.841 / % possible all: 98.7

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Processing

Software

Name	Version	Classification
PHENIX	1.18.2_3874	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3U7Q

3u7q

Resolution: 1.65→38.22 Å / SU ML: 0.2002 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.7158
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.1952	14399	4.93 %
R_work	0.1721	277585	-
obs	0.1732	291984	98.14 %

Solvent computation

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

Displacement parameters

B_iso mean: 28.14 Å²

Refinement step

Cycle: LAST / Resolution: 1.65→38.22 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	15764	0	170	1390	17324

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0095	16352
X-RAY DIFFRACTION	f_angle_d	1.115	22236
X-RAY DIFFRACTION	f_chiral_restr	0.0648	2334
X-RAY DIFFRACTION	f_plane_restr	0.0075	2846
X-RAY DIFFRACTION	f_dihedral_angle_d	9.5153	2202

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 (%)
1.65-1.67	0.3581	468	0.3523	9174	X-RAY DIFFRACTION	98.24
1.67-1.69	0.3461	511	0.3354	9315	X-RAY DIFFRACTION	98.63
1.69-1.71	0.3357	480	0.3157	9145	X-RAY DIFFRACTION	98.45
1.71-1.73	0.3129	490	0.3026	9244	X-RAY DIFFRACTION	98.51
1.73-1.75	0.3144	485	0.2887	9268	X-RAY DIFFRACTION	98.34
1.75-1.78	0.2885	463	0.2717	9203	X-RAY DIFFRACTION	98.43
1.78-1.8	0.3	454	0.2612	9266	X-RAY DIFFRACTION	98.1
1.8-1.83	0.2956	458	0.2538	9231	X-RAY DIFFRACTION	98.06
1.83-1.86	0.283	414	0.2506	9305	X-RAY DIFFRACTION	98.21
1.86-1.89	0.2634	483	0.2355	9116	X-RAY DIFFRACTION	97.78
1.89-1.92	0.2512	470	0.2217	9094	X-RAY DIFFRACTION	97.24
1.92-1.96	0.2358	474	0.2087	9085	X-RAY DIFFRACTION	96.11
1.96-1.99	0.2351	476	0.2025	9000	X-RAY DIFFRACTION	95.92
1.99-2.03	0.2251	494	0.1878	9286	X-RAY DIFFRACTION	98.76
2.03-2.08	0.2077	471	0.1841	9286	X-RAY DIFFRACTION	98.78
2.08-2.13	0.1972	501	0.1791	9262	X-RAY DIFFRACTION	98.6
2.13-2.18	0.2062	474	0.1751	9304	X-RAY DIFFRACTION	98.87
2.18-2.24	0.1871	451	0.1708	9354	X-RAY DIFFRACTION	98.9
2.24-2.31	0.188	513	0.1602	9260	X-RAY DIFFRACTION	98.72
2.31-2.38	0.1779	499	0.1629	9276	X-RAY DIFFRACTION	98.74
2.38-2.46	0.2007	482	0.1623	9230	X-RAY DIFFRACTION	97.65
2.46-2.56	0.1942	438	0.1648	8924	X-RAY DIFFRACTION	94.81
2.56-2.68	0.1891	471	0.1615	9386	X-RAY DIFFRACTION	99.32
2.68-2.82	0.1983	499	0.1612	9390	X-RAY DIFFRACTION	99.49
2.82-3	0.1737	505	0.1555	9355	X-RAY DIFFRACTION	99.39
3-3.23	0.1853	517	0.1518	9369	X-RAY DIFFRACTION	99.06
3.23-3.55	0.1731	502	0.1478	9325	X-RAY DIFFRACTION	98.42
3.55-4.07	0.1548	480	0.1345	9135	X-RAY DIFFRACTION	96.27
4.07-5.12	0.1394	499	0.1232	9476	X-RAY DIFFRACTION	99.11
5.12-38.22	0.1625	477	0.1513	9521	X-RAY DIFFRACTION	97.49

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	0.872416435434	-0.0628351761193	0.292011185302	0.476773209024	0.131675681688	1.06408087948	-0.00387072214878	0.251863741778	-0.0637693019101	-0.133299742024	0.0439564453755	0.0978326766316	0.0826882903179	-0.0730909877968	-0.0477390995665	0.349267109712	-0.057615759247	-0.00822192812379	0.323758806481	0.0124559110473	0.181564474578	33.1768894375	25.1250946027	9.16910682584
2	0.783438757845	-0.244069887279	0.323239319169	1.32699711634	-0.303727567263	2.02843209983	-0.0297697244294	0.119762203521	0.153094909248	-0.0911983653728	0.0537000024577	-0.127664529971	-0.233130361449	0.234282381745	-0.00841724508746	0.257770486076	-0.0646396316508	0.0266636711441	0.244907909404	-0.00776860810764	0.17598926731	54.4639748664	39.4435153043	23.3484136683
3	0.452462052291	0.000299532790658	-0.0365613475645	0.391647031084	0.0492062592707	0.797896467344	-0.00207739740038	0.126511457665	-0.0743873745232	-0.058753768089	0.0550184260167	-0.0298308007288	0.191706776432	0.0575027940516	-0.0518187179881	0.350739301349	-0.0272079769852	-0.00789290038385	0.271377559488	-0.0356564581202	0.188403429238	45.7096277458	13.6298827883	15.5408625008
4	2.23592197186	-1.00410369343	-2.79075530036	1.24788884603	0.984037712724	3.57489146084	-0.115408620529	0.295834406957	-0.133262700789	0.0599922721391	0.081622635904	0.102717015775	0.252393282724	-0.332092489848	0.0434275608733	0.329736000989	-0.0986827948748	-0.0298015366134	0.221772402139	-0.00212987323625	0.167600562288	30.32056908	10.6559664423	29.5955761895
5	0.780597235806	-0.105868899942	0.0853808172252	0.940232181455	0.444149385936	0.91107844485	0.0495879857269	0.0582239211515	-0.0216408648141	0.081660446938	0.0444684894598	-0.102477538005	0.101871352697	0.256573461444	-0.0955656166244	0.237911789689	-0.014488286029	-0.00164803771077	0.273836201107	-0.0112751019407	0.121649722703	56.9374166073	25.1108616949	35.5298555949
6	0.305316704937	-0.0828626262228	0.181307696109	0.872944083535	-0.646291875872	2.27140603024	0.0179011237306	0.11996915404	0.0708443186694	-0.11960861919	0.032259325523	0.0605853708738	-0.15866019701	-0.185366360747	-0.0481800998102	0.289652050159	-0.00209598178882	0.00612805100112	0.273564603321	0.0410475487182	0.177637761871	26.5738206027	41.4791278208	15.4415952358
7	1.10860980192	-0.0435890759731	-0.252164102809	0.23907616928	0.352063473295	1.00753114192	0.0173663340071	0.0675623982554	0.153598740422	-0.132220301173	0.0068732831247	0.0476509917235	-0.249325047552	-0.283244642971	-0.0288593151177	0.302157135911	0.0528860877666	0.00252524002797	0.280784841457	0.0514236473108	0.18834427224	17.0962713235	46.7095149355	33.4918096758
8	0.709090612565	-0.425929525563	0.350151802356	1.71846749727	0.436380010232	1.80070709361	-0.0284755895144	0.0455877054934	0.157025440104	-0.14402720338	-0.0187796130093	0.0675521620255	-0.449296284332	-0.295014539367	0.0624789259609	0.274577474318	0.0552187437583	0.0366781378159	0.287049599292	0.0666579268742	0.186079430483	18.4234636694	49.7355704409	32.7586416359
9	0.931956966268	-0.145602882792	-0.248092675749	0.274396944369	0.0263220277967	1.55903747444	0.0601845480408	0.0304695462834	0.14316574136	-0.0242097025505	0.00668786899867	0.0142669139745	-0.24312358454	-0.132026399622	-0.0675125224287	0.272568382789	0.0112452729277	0.025712782323	0.162910871374	0.00674391852793	0.187288297291	28.8408180742	45.5486314702	52.5301462206
10	0.719149540998	0.0371970945696	0.120683037152	0.387273700896	0.189041654642	0.937055801541	0.0234052126042	0.0296245299607	0.0730403474349	-0.00665093769726	0.0179620257149	-0.00800923578107	-0.107170676029	0.0685525670178	-0.045100047176	0.25273807357	-0.0322341145936	0.0147827636583	0.185286738074	0.0137641851234	0.161200846238	43.0781887274	38.8551880704	45.1443543754
11	4.92413365882	-3.83526641882	3.0534397474	3.67891742421	-2.97761153894	2.71622428499	0.142924948279	0.241030902493	-0.0401441012453	-0.065622506821	-0.1459495639	0.0207979080213	0.127208447844	0.0873587747545	0.00219250996537	0.217314299778	-0.034169409379	0.00610419479096	0.129224110019	-0.0222459804456	0.108275849879	37.9518805742	27.7187688001	59.8455160242
12	2.12742396036	0.0419419417701	0.815994786241	1.62804386066	0.431849586821	1.5548910879	-0.0486237920062	-0.293499200293	0.218259236105	0.200505294907	-0.0113259592649	0.074578524827	-0.177525941912	-0.314936991209	0.0559722345211	0.327681138891	0.0154829885339	0.0484996255565	0.369408379256	-0.0333676437064	0.208054756857	20.8778734427	41.4229138873	97.5082176241
13	0.991275735472	-0.132065304793	-0.0284735427458	0.375067256842	-0.064668461957	0.789683420717	-0.0145473021653	-0.108176742991	-0.144621208886	0.0514226413483	0.0512322747943	0.0432536521016	0.258769656897	-0.137886750068	-0.0241496218386	0.273690139353	-0.0519669281048	0.00421244102077	0.171835293125	0.0300114951591	0.152193532156	32.7069386146	10.9620206424	80.3896297247
14	0.710390999202	0.0626327668423	0.26408259003	0.300108040748	0.15827458372	0.667506111881	0.0390449222206	-0.0874604785364	-0.114158703575	0.0843436659246	0.00989834299945	-0.00168457802918	0.172665514816	-0.0137568743983	-0.0499175963968	0.321026140488	-0.0145501320434	0.000440184832663	0.228146361144	0.0301507555071	0.193156758478	44.9406538823	13.8333254485	89.4361451136
15	0.652799169672	-0.00714163529566	0.143158723116	0.544721922563	-0.216191290244	0.917706308357	0.0117868156449	-0.102094658865	0.0485353644895	0.0938881363957	-0.0161878646104	-0.0211881676684	-0.104058760182	0.0423556009792	0.00744541784234	0.246831950171	-0.026481276076	0.00766182285639	0.188258596886	-0.0155278939076	0.152362729148	46.8460499174	36.4380961584	89.0830270294
16	0.717550229296	-0.118929405432	0.960987909043	0.926751209402	-0.414716517748	5.7393862079	-0.0467990499047	-0.160687442209	0.0952869009234	0.0663892469246	0.0396973092671	0.0616524854906	-0.170106632385	-0.387945897871	0.00956198003029	0.187848831536	0.0101399756607	0.0389292465792	0.192983127537	-0.00911217228496	0.172545861127	27.2004383397	39.9331983685	85.20299166
17	3.33085723569	-0.610211976457	3.78496252861	0.972015850961	-1.53329300125	5.19244440629	-0.113099289001	-0.0269269646356	0.131406118589	0.126311752037	0.0804770193487	-0.00486753861991	-0.267561389169	-0.190095547111	0.0451720998559	0.227590013154	0.00525358091819	0.0450630688659	0.151250634854	-0.00534300536995	0.140446333695	36.2165869375	41.2403637695	71.8786893199
18	1.14191364386	0.0407443294962	0.345476664275	0.687809273444	0.324626863422	1.06215716249	0.0181123720769	0.0353997393022	-0.164688664421	-0.0259396545673	0.0741876956792	-0.088685022274	0.213804389093	0.101903418389	-0.09643155477	0.25334399419	0.010082170372	0.00794607066501	0.159755531495	0.00745275168344	0.125798200524	48.3481451778	13.094515271	70.8309397729
19	1.0961906617	0.429069506667	-0.915487198822	1.48115365121	-0.938861104164	2.56219426381	0.0458119313103	-0.147589258883	-0.0161556547007	0.167847009799	0.0661150003351	0.172115443353	-0.0287822036955	-0.332444669718	-0.108463239171	0.186179221292	-0.0443422619211	0.0206845376431	0.263657933828	0.0253711810937	0.156057541193	16.5401421006	22.1250170749	79.0015302191
20	0.261056644743	-0.0931744400348	-0.00348854271212	0.225564503563	0.0730420448899	0.752101911949	0.00875220533742	-0.0861204821999	-0.0577736612707	0.0648763873627	0.017861505729	0.149149504553	0.124317855341	-0.510096576756	-0.0219685633391	0.2451118882	-0.093007443327	0.0362876390265	0.453200428961	0.0473231410237	0.252359691359	4.85924014995	19.6131656785	75.0954178724
21	3.12005753428	2.39460425722	1.44353141844	1.98089316266	1.00593982175	1.27833536436	-0.0167808608425	-0.0628728333126	0.0729871037563	-0.0338366746189	0.0112883609942	0.174315051547	-0.0522637796126	-0.431843316612	0.00747902496333	0.197399938882	-0.00634854249064	0.0175278846158	0.346282825597	0.0388991655577	0.217022136439	9.40528502616	31.7410100306	64.6562830065
22	0.823243814551	-0.0294620026924	-0.626259005733	0.332187788874	-0.0209488858426	1.44862439702	-0.0239337102409	0.0448762783508	-0.0729228819735	0.00443666064082	0.0461033871349	0.156806183691	0.217256578369	-0.530155510463	-0.00718749119913	0.240608954425	-0.132348053488	-0.0188396405182	0.399009463664	0.0383840178185	0.22501349859	6.56994475841	15.6957621141	51.4932953179
23	0.443335763554	-0.0205956337794	0.278903030883	0.664648850524	-0.0743383287533	1.01067693874	0.0221750897571	0.0185223913605	-0.132469543164	-0.0144881838429	0.0399757020268	0.071074074922	0.297922877896	-0.126610501607	-0.0616357870889	0.29558112748	-0.0722659657797	-0.000248688610451	0.184467512129	0.0101718865941	0.180187438985	29.2972319339	9.51929200825	55.9002363696
24	6.66425407822	-0.239352021754	-3.16522182102	0.271228097513	0.0394217658857	2.1700826401	-0.10133030748	-0.0780688719365	0.0142283076021	-0.0225991776721	0.101195462243	-0.0106797286515	0.131612338641	0.0274088729535	0.00071348548031	0.279427893127	-0.0415012413454	-0.0139733603937	0.144151584676	-0.0104206526653	0.142585261761	37.6006054009	20.812200081	42.5592527333
25	0.222990035504	-0.487052770799	-0.111141909093	3.29538026917	1.3433509935	0.632516622794	0.040843631883	0.160921021986	0.0160370712248	0.0981172844961	-0.0627446424126	-0.107840982384	0.010232573883	-0.032389695898	0.0282043559486	0.287860134861	-0.0397612986544	0.0124323142042	0.255389133552	0.0024863061462	0.178742009078	40.6532468098	28.7477477397	18.0933983134
26	1.91642344002	1.94588871245	0.655908765188	2.28571869771	0.611746312541	0.232365104378	-0.0322631051134	-0.130308396769	-0.117291717699	0.00514820545263	0.0206666871193	0.0131245392283	0.13420251227	-0.209392520076	0.0206951046653	0.244216278198	-0.0393487097305	0.0196232005623	0.249965983786	0.0157475102965	0.1973443753	30.1427662078	21.6576040357	83.9120761623

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 4 through 91 )	A	A	4 - 91	1 - 88
2	2	chain 'A' and (resid 92 through 174 )	A	A	92 - 174	89 - 171
3	3	chain 'A' and (resid 175 through 440 )	A	A	175 - 440	172 - 439
4	4	chain 'A' and (resid 441 through 480 )	A	A	441 - 480	440 - 479
5	5	chain 'B' and (resid 2 through 70 )	B	J	2 - 70	1 - 69
6	6	chain 'B' and (resid 71 through 192 )	B	J	71 - 192	70 - 191
7	7	chain 'B' and (resid 193 through 264 )	B	J	193 - 264	192 - 263
8	8	chain 'B' and (resid 265 through 320 )	B	J	265 - 320	264 - 319
9	9	chain 'B' and (resid 321 through 399 )	B	J	321 - 399	320 - 398
10	10	chain 'B' and (resid 400 through 485 )	B	J	400 - 485	399 - 484
11	11	chain 'B' and (resid 486 through 523 )	B	J	486 - 523	485 - 524
12	12	chain 'C' and (resid 4 through 49 )	C	R	4 - 49	1 - 46
13	13	chain 'C' and (resid 50 through 141 )	C	R	50 - 141	47 - 138
14	14	chain 'C' and (resid 142 through 275 )	C	R	142 - 275	139 - 272
15	15	chain 'C' and (resid 276 through 383 )	C	R	276 - 383	273 - 380
16	16	chain 'C' and (resid 384 through 440 )	C	R	384 - 440	381 - 437
17	17	chain 'C' and (resid 441 through 480 )	C	R	441 - 480	438 - 477
18	18	chain 'D' and (resid 2 through 70 )	D	AA	2 - 70	1 - 69
19	19	chain 'D' and (resid 71 through 127 )	D	AA	71 - 127	70 - 126
20	20	chain 'D' and (resid 128 through 246 )	D	AA	128 - 246	127 - 245
21	21	chain 'D' and (resid 247 through 277 )	D	AA	247 - 277	246 - 276
22	22	chain 'D' and (resid 278 through 362 )	D	AA	278 - 362	277 - 361
23	23	chain 'D' and (resid 363 through 485 )	D	AA	363 - 485	362 - 484
24	24	chain 'D' and (resid 486 through 523 )	D	AA	486 - 523	485 - 522
25	25	chain 'A' and (resid 501 through 503)	A	B - D	501 - 503
26	26	chain 'C' and (resid 501 through 503)	C	S - U	501 - 503

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