PDB-36zl: Structure of Bacteroides thetaiotaomicron ATP:cob(I)alamin adenos...

ID or keywords:

Entry

Database: PDB / ID: 36zl

Title

Structure of Bacteroides thetaiotaomicron ATP:cob(I)alamin adenosyltransferase (ATR or BtuR, BT2760)bound to cob(II)alamin and ATP

Components

Corrinoid adenosyltransferase

Keywords

TRANSFERASE / cobalamin / chaperone / ATP:cob(I)alamin adenosyltransferase

Function / homology

Function and homology information

corrinoid adenosyltransferase / corrinoid adenosyltransferase activity / cobalamin biosynthetic process / ATP binding
Similarity search - Function

Biological species

Bacteroides thetaiotaomicron (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.2 Å

Authors

Mascarenhas, R. / Maurya, B.

Funding support

United States, 1items

Citation

Journal: To Be Published
Title: A new role for a B12 chaperone: adenosyltransferase loads cobalamin onto methionine synthase
Authors: Maurya, B. / Mascarenhas, R.

History

Deposition	Jul 7, 2026	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 26, 2026	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	36zl.cif.gz	427 KB	Display	PDBx/mmCIF format
PDB format	pdb36zl.ent.gz	351.1 KB	Display	PDB format
PDBx/mmJSON format	36zl.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/6z/36zl ftp://data.pdbj.org/pub/pdb/validation_reports/6z/36zl	HTTPS FTP

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Related structure data

Related structure data	36zi PDB Unreleased entry
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	#32 - Aug 2002 Chaperones similarity (1) #106 - Oct 2008 Poly(A) Polymerase similarity (1) #58 - Oct 2004 G Proteins similarity (1)

Deposited unit

A: Corrinoid adenosyltransferase

B: Corrinoid adenosyltransferase

C: Corrinoid adenosyltransferase

D: Corrinoid adenosyltransferase

E: Corrinoid adenosyltransferase

F: Corrinoid adenosyltransferase

hetero molecules

133 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Corrinoid adenosyltransferase

B: Corrinoid adenosyltransferase

C: Corrinoid adenosyltransferase

hetero molecules

defined by author&software
Evidence: gel filtration
66.6 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

D: Corrinoid adenosyltransferase

E: Corrinoid adenosyltransferase

F: Corrinoid adenosyltransferase

hetero molecules

defined by author&software
66.1 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	63.219, 81.857, 111.184
Angle α, β, γ (deg.)	90.00, 102.78, 90.00
Int Tables number	4
Space group name H-M	P12₁1

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Protein , 1 types, 6 molecules ABCDEF

#1: Protein	Corrinoid adenosyltransferase / Cob(II)alamin adenosyltransferase / Cob(II)yrinic acid a / c-diamide adenosyltransferase / ...Cob(II)alamin adenosyltransferase / Cob(II)yrinic acid a / c-diamide adenosyltransferase / Cobinamide/cobalamin adenosyltransferase Mass: 21272.240 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacteroides thetaiotaomicron (bacteria) Gene: BT_2760 / Production host: Escherichia coli (E. coli) / References: UniProt: Q8A443, corrinoid adenosyltransferase

#1: Protein

Corrinoid adenosyltransferase / Cob(II)alamin adenosyltransferase / Cob(II)yrinic acid a / c-diamide adenosyltransferase / ...

Mass: 21272.240 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Bacteroides thetaiotaomicron (bacteria)
Gene: BT_2760 / Production host:

Escherichia coli (E. coli) / References: UniProt: Q8A443, corrinoid adenosyltransferase

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Non-polymers , 7 types, 87 molecules

#2: Chemical	ChemComp-ATP / ADENOSINE-5'-TRIPHOSPHATE Mass: 507.181 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₁₀H₁₆N₅O₁₃P₃ / Feature type: SUBJECT OF INVESTIGATION / Comment: ATP, energy-carrying molecule*YM
#3: Chemical	ChemComp-K / POTASSIUM ION Mass: 39.098 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: K
#4: Chemical	ChemComp-3PO / TRIPHOSPHATE Mass: 257.955 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: H₅O₁₀P₃
#5: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Mg
#6: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO₄
#7: Chemical	ChemComp-B12 / COBALAMIN Mass: 1330.356 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₆₂H₈₉CoN₁₃O₁₄P / Feature type: SUBJECT OF INVESTIGATION
#8: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 73 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
Has protein modification	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.22 Å³/Da / Density % sol: 44.6 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: 20% PEG 3350, 200 mM Ammonium Chloride

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 0.97872 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 7, 2025
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97872 Å / Relative weight: 1
Reflection	Resolution: 2.2→61.65 Å / Num. obs: 55707 / % possible obs: 99 % / Redundancy: 4 % / CC_1/2: 0.999 / R_merge(I) obs: 0.047 / R_pim(I) all: 0.026 / R_rim(I) all: 0.054 / Χ²: 0.83 / Net I/σ(I): 14.6 / Num. measured all: 223730
Reflection shell	Resolution: 2.2→2.26 Å / % possible obs: 92.1 % / Redundancy: 3.1 % / R_merge(I) obs: 0.525 / Num. measured all: 12905 / Num. unique obs: 4224 / CC_1/2: 0.877 / R_pim(I) all: 0.331 / R_rim(I) all: 0.625 / Χ²: 0.64 / Net I/σ(I) obs: 1.8

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Processing

Software

Name	Version	Classification
PHENIX	(2.0_5936: ???)	refinement
Aimless		data scaling
PHASER		phasing
PDB_EXTRACT		data extraction
autoPROC		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.2→45.2 Å / SU ML: 0.3 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 30.04 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2407	2792	5.02 %
R_work	0.2044	-	-
obs	0.2062	55633	98.84 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 2.2→45.2 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8075	0	163	73	8311

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.01	8416
X-RAY DIFFRACTION	f_angle_d	0.767	11467
X-RAY DIFFRACTION	f_dihedral_angle_d	16.998	3111
X-RAY DIFFRACTION	f_chiral_restr	0.047	1328
X-RAY DIFFRACTION	f_plane_restr	0.007	1419

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 (%)
2.2-2.24	0.3706	107	0.3609	2376	X-RAY DIFFRACTION	89
2.24-2.28	0.343	127	0.3146	2581	X-RAY DIFFRACTION	96
2.28-2.32	0.2805	150	0.2966	2566	X-RAY DIFFRACTION	98
2.32-2.37	0.3696	140	0.3096	2629	X-RAY DIFFRACTION	99
2.37-2.42	0.3575	124	0.2854	2686	X-RAY DIFFRACTION	100
2.42-2.48	0.2723	145	0.2572	2636	X-RAY DIFFRACTION	100
2.48-2.54	0.2832	137	0.2381	2672	X-RAY DIFFRACTION	100
2.54-2.61	0.2736	132	0.2349	2664	X-RAY DIFFRACTION	100
2.61-2.69	0.2897	138	0.2354	2625	X-RAY DIFFRACTION	100
2.69-2.77	0.301	148	0.2319	2659	X-RAY DIFFRACTION	100
2.77-2.87	0.2943	152	0.2395	2683	X-RAY DIFFRACTION	100
2.87-2.99	0.2855	147	0.2478	2647	X-RAY DIFFRACTION	100
2.99-3.12	0.2777	141	0.2269	2656	X-RAY DIFFRACTION	100
3.12-3.29	0.2812	145	0.2264	2652	X-RAY DIFFRACTION	100
3.29-3.49	0.2649	118	0.2202	2683	X-RAY DIFFRACTION	100
3.49-3.76	0.2689	135	0.1986	2674	X-RAY DIFFRACTION	100
3.76-4.14	0.2003	153	0.1693	2690	X-RAY DIFFRACTION	100
4.14-4.74	0.2045	147	0.1628	2652	X-RAY DIFFRACTION	100
4.74-5.97	0.2354	160	0.1949	2680	X-RAY DIFFRACTION	99
5.97-45.2	0.1698	146	0.1622	2730	X-RAY DIFFRACTION	99

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	3.9929	-0.6722	-0.3619	4.0228	0.2676	3.7722	0.097	0.767	-0.123	-0.6096	-0.1413	0.5664	0.6456	0.1465	0.0483	0.7121	0.0937	-0.0401	0.6924	-0.0246	0.5149	15.944	6.945	-13.431
2	0.9187	-0.0327	0.809	0.9433	-0.5693	3.6488	-0.1263	-0.0741	0.1376	-0.0297	0.1311	0.1805	-0.0886	-0.7171	-0.0399	0.3903	0.0726	0.0193	0.533	-0.0402	0.4871	7.286	12.636	5.995
3	3.3522	-4.0246	-0.662	8.2069	-2.0518	8.8372	0.231	0.746	0.8402	0.3156	-0.2453	1.0392	-1.7569	-0.765	-0.0797	1.007	0.2656	-0.0985	0.7472	0.0998	0.7943	0.816	25.48	-5.738
4	0.5943	-0.9182	0.7093	4.8264	-3.3239	2.4758	0.3388	-0.5237	0.5082	-0.0286	0.6132	1.0644	-0.2741	-1.908	-0.7803	0.5376	0.2209	0.0221	0.9321	-0.0956	0.8133	-4.804	17.471	16.228
5	5.1216	1.669	-0.4378	2.3396	0.0487	1.9648	0.3031	-0.9068	0.7336	0.4844	-0.0372	0.3036	-0.3707	-0.5757	-0.1773	0.7556	0.0277	0.0781	0.9059	-0.1558	0.6392	8.268	13.262	32.433
6	2.0343	-0.2803	1.0002	2.3402	-1.9589	4.1382	-0.1179	-0.4815	0.2806	-0.0056	-0.0207	-0.3436	-0.4585	-0.4558	0.0778	0.4873	0.0747	0.0465	0.5235	-0.1118	0.5296	12.836	17.658	14.669
7	2.3458	1.9426	-0.9682	1.9103	-1.7115	3.1931	0.1233	0.0879	0.5247	0.0888	0.3172	0.5414	-0.0361	-0.8912	-0.4817	1.1715	0.3533	-0.1786	0.4881	-0.0318	0.9822	5.545	29.924	2.902
8	1.5079	-0.3783	2.0356	4.1876	-3.7915	5.5467	0.0643	-0.4504	0.3556	0.6806	0.241	0.6619	-0.9633	-0.6882	-0.3006	0.5291	0.1505	0.0512	0.6326	-0.161	0.6009	4.383	15.083	20.989
9	1.0942	-0.1152	-0.4533	0.9237	-0.7458	4.3639	0.0034	-0.6999	0.1302	0.4612	0.049	0.0714	0.022	0.4735	0.1311	0.4945	0.0134	0.0336	0.6548	-0.0537	0.6151	14.43	10.469	21.197
10	2.0685	-0.5721	1.1964	3.1016	0.724	2.5782	-0.3649	-0.8027	-0.7672	1.2412	0.0688	-0.442	-1.1652	-1.1568	0.4637	1.2581	0.361	-0.1635	1.3033	0.0725	1.2549	8.994	28.474	19.204
11	3.0892	-2.3524	0.8509	5.2491	-1.9911	2.857	-0.1456	-0.5305	0.4368	0.0775	0.2515	-0.1581	-0.3093	-0.2363	-0.1314	0.4907	0.0209	0.0143	0.5541	-0.0957	0.5704	21.131	15.527	20.292
12	3.098	1.3364	-0.0084	0.7217	-0.2806	2.4106	0.1991	-0.6575	0.0495	0.1163	-0.2082	-0.3843	-0.182	0.6719	0.0381	0.4848	-0.0834	-0.0988	0.7644	-0.0335	0.4913	30.866	11.507	29.117
13	1.7476	-0.1021	0.7813	2.4225	-0.8121	2.0756	0.0618	-0.0305	0.0094	0.027	-0.1845	-0.5687	0.0016	0.5575	0.118	0.3477	-0.0113	0.0085	0.5483	0.0059	0.5505	33.235	10.467	17.706
14	8.1606	2.9175	-2.5479	2.8286	-4.4303	8.7558	1.0888	1.2387	0.0989	0.1964	-0.1451	0.3526	-0.1309	0.5485	-0.8402	0.9569	0.0329	0.0545	1.1036	-0.067	0.6901	36.26	-5.244	10.291
15	3.8188	-2.1413	2.1043	6.2645	-3.0499	6.9878	-0.3352	-0.0248	0.0913	0.6884	-0.3818	-0.5656	-0.8465	1.1143	0.5907	0.8341	-0.1108	0.0109	1.1755	0.13	0.9425	44.165	14.757	17.208
16	2.6645	1.6775	1.2966	3.9174	-3.4013	6.8365	-0.6816	0.4745	0.5885	0.0037	0.0705	-1.674	-1.3422	1.2264	0.463	0.7529	-0.109	-0.0816	0.755	0.0021	1.2168	39.007	23.195	7.03
17	2.4648	0.1821	0.7886	8.0687	-1.8337	2.7476	0.048	0.38	-0.0781	0.2162	-0.1135	-0.6149	-0.0411	0.3777	0.1044	0.4232	0.0307	0.0385	0.5948	-0.0477	0.5307	27.129	8.679	6.588
18	4.046	-0.412	0.4325	3.727	-0.0071	5.786	0.1904	0.4161	-0.4215	-0.3192	-0.2106	-0.4406	0.3803	0.989	0.0548	0.5274	0.1624	0.0352	0.5915	-0.0872	0.5696	27.887	-1.087	1.246
19	6.4701	-4.4535	-3.0043	3.0835	2.1436	1.7334	-0.0255	0.7427	1.2786	-1.6696	0.3004	-0.7401	-0.5358	-0.1176	-0.0853	1.3711	0.02	0.1885	1.2805	0.2278	1.3735	42.95	16.197	-4.881
20	8.3581	4.646	-4.2439	2.756	-2.0753	6.8027	-0.2047	0.5809	-0.7389	-1.1163	-0.2518	-0.9707	0.479	0.6529	0.3776	0.7848	0.154	0.1313	0.692	-0.0772	0.682	25.684	-0.001	-10.303
21	2.6377	1.6722	-0.3938	2.646	0.2502	3.3876	0.0467	0.5069	-0.2636	-0.5582	-0.0663	0.1702	0.2101	-0.4595	0.0282	0.5811	-0.0198	-0.0523	0.731	-0.1278	0.5926	5.827	-0.444	-2.917
22	2.2789	1.4348	0.365	2.6037	-0.5078	2.2787	-0.0904	0.3601	0.0982	-0.2822	0.0285	-0.0582	0.0444	0.1783	0.0875	0.4694	0.0669	0.0404	0.5231	0.0009	0.513	19.912	7.735	-1.431
23	4.4746	3.7763	2.5971	7.2972	-2.822	7.2672	0.0892	-0.2188	0.6031	-0.6406	0.1768	0.7645	0.1529	-0.7026	-0.1998	0.4852	0.0036	0.0086	0.884	-0.1212	0.6787	-0.361	1.413	2.964
24	3.0518	-0.7323	0.0408	2.6846	0.3461	2.2281	0.1219	-0.1543	-0.3431	0.0449	-0.0704	0.5387	-0.0066	-0.7919	-0.0474	0.4418	-0.0025	-0.0232	0.6909	0.0203	0.5072	-4.499	31.871	-27.586
25	1.6011	-0.0594	0.5293	2.7762	0.3381	2.9132	0.109	-0.0407	-0.3761	0.1111	0.231	-0.0563	0.5426	0.0222	-0.3052	0.5566	-0.0106	-0.0332	0.6195	-0.0437	0.5729	12.269	16.509	-30.379
26	2.4312	-2.2187	0.0583	5.6267	2.4169	2.3519	0.0506	0.2434	0.2079	0.0736	0.3039	-0.8656	0.1904	0.7469	-0.3559	0.4568	0.0226	0.0063	0.8625	-0.0757	0.5904	21.418	25.782	-29.081
27	3.8046	-2.2704	4.7419	1.5295	-2.2488	7.8062	0.7672	1.7499	-0.5517	-0.1253	-0.5228	-0.1719	0.7556	1.5489	-0.2643	1.1485	0.2163	-0.1362	1.34	-0.3369	1.0979	24.957	5.273	-45.977
28	1.763	0.4103	1.2422	4.3692	0.066	2.7888	0.1117	0.488	-0.01	-0.4155	0.0923	-0.1686	0.2027	0.2203	-0.1081	0.5682	0.0016	0.0324	0.8513	-0.0397	0.5007	13.056	21.731	-40.673
29	4.1467	-0.5005	0.0822	5.9324	2.4648	4.8297	-0.0769	0.8911	-0.7206	-0.608	1.0827	-0.8344	0.6867	0.821	-0.9573	0.6035	0.0721	-0.0299	0.9048	-0.2189	0.6629	21.456	14.063	-37.402
30	2.218	-0.8394	0.345	4.1715	0.115	0.1897	-0.2034	0.1446	0.161	-0.2536	-0.0928	-1.3825	-0.8252	0.3373	0.0364	1.548	-0.0169	-0.0062	1.3013	-0.5475	1.467	20.591	-0.248	-47.511
31	9.7449	7.5446	4.0111	5.8361	3.0642	2.1744	-0.4137	1.3669	0.2786	-0.772	0.9568	-2.1538	-1.1815	0.8379	-0.2777	1.5189	-0.0481	-0.1565	1.6928	-0.0949	1.4089	-5.186	17.348	-64.064
32	0.0724	0.0439	-0.0057	0.0724	0.0391	0.0435	-1.4136	2.0701	0.5375	0.1254	-0.0239	0.2667	-1.4621	1.6222	1.2182	1.5384	-0.2083	-0.5016	2.0171	0.0688	1.231	-9.447	23.854	-58.104
33	2.6599	-1.2674	-0.289	2.4702	-1.8347	5.3088	0.0047	0.3711	-0.4744	-0.3098	0.2572	0.9215	0.6904	-1.4035	-0.3258	0.6825	-0.2277	-0.2234	0.9222	-0.0416	0.8919	-9.72	12.277	-38.143
34	1.8248	-0.4833	0.461	1.5849	0.0441	0.1995	-0.7621	1.4347	0.0724	-2.3195	0.8007	0.3137	-0.7256	0.142	-0.0605	1.3425	-0.4596	-0.1799	1.4807	-0.2702	0.9246	-19.805	23.764	-44.175
35	3.4079	0.4046	2.6776	2.4243	-0.8524	6.5249	0.9248	-0.9049	-0.5927	-0.4296	0.4018	1.2006	1.126	-2.3583	-1.1084	0.7488	-0.3639	0.0158	1.253	0.1562	0.9148	-16.113	17.751	-24.028
36	2.7077	-0.7776	1.6635	2.5235	0.7501	4.478	0.046	-0.1346	-0.4789	-0.111	0.1889	0.2318	0.465	-0.6611	-0.2884	0.504	-0.0927	-0.0426	0.6907	0.0851	0.5869	-1.044	18.705	-29.855
37	0.3106	1.2198	-0.9797	5.3743	-4.4944	3.9954	0.549	1.3301	0.3065	-0.5523	0.3509	0.6354	0.5508	-1.76	-0.75	0.7228	0.1709	-0.2496	1.2428	0.3195	1.1757	-14.485	31.779	-43.41
38	2.8565	0.4207	-0.2283	3.3678	0.5032	3.1507	0.2618	-0.2137	-0.5414	-0.1346	-0.0009	0.77	0.5677	-0.8562	-0.2867	0.4688	-0.1333	-0.0541	0.7277	0.0756	0.6648	-7.473	17.088	-26.797
39	6.916	1.2213	0.1757	8.0784	-1.9658	7.6906	-0.0218	-1.1179	-0.9369	0.4826	-0.2256	-0.9041	0.3669	0.2477	0.1927	0.6944	-0.0279	-0.112	0.6806	0.1288	0.6379	9.183	14.091	-18.003
40	5.2627	0.1607	0.6039	7.1324	1.1176	5.5603	0.4956	0.9624	-0.661	-0.8287	-0.5188	-0.6078	0.2933	0.7357	-0.0934	0.764	0.0341	-0.103	1.0042	-0.1932	0.577	9.289	13.492	-49.012
41	4.1737	-0.5532	-0.2334	2.2701	0.8671	5.9011	0.6235	1.0552	-1.4926	-0.2521	-0.3534	-0.2429	0.7205	0.2488	-0.3974	1.2732	0.1637	-0.2375	1.1557	-0.3959	0.9615	9.1	2.751	-54.279
42	7.3392	5.2569	-0.897	7.0972	-0.3027	1.9935	-0.0371	2.1817	-0.5511	-0.8728	0.2987	0.5217	1.2483	-0.1425	-0.215	1.257	0.0312	-0.3301	1.3014	-0.4025	0.8867	2.177	3.62	-64.335
43	2.2227	1.5842	0.5459	4.3209	1.7494	1.1458	0.3905	1.008	-0.4663	-0.3054	-0.2229	0.5811	0.4738	-0.0177	-0.1485	0.9401	-0.0874	-0.2168	1.0792	-0.2714	0.7622	-3.169	10.824	-51.784
44	3.2485	0.2979	-0.9217	3.6927	0.1541	0.4537	0.0834	0.6857	-0.7036	0.5722	-0.1644	-0.1544	-0.0211	0.0073	-0.1253	1.1286	-0.2148	-0.3031	1.2622	-0.3262	0.8865	-6.171	3.96	-52.094

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	( CHAIN A AND RESID 2:14 )	A	2 - 14
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 15:74 )	A	15 - 74
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 75:84 )	A	75 - 84
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 85:105 )	A	85 - 105
5	X-RAY DIFFRACTION	5	( CHAIN A AND RESID 106:120 )	A	106 - 120
6	X-RAY DIFFRACTION	6	( CHAIN A AND RESID 121:145 )	A	121 - 145
7	X-RAY DIFFRACTION	7	( CHAIN A AND RESID 146:150 )	A	146 - 150
8	X-RAY DIFFRACTION	8	( CHAIN A AND RESID 151:174 )	A	151 - 174
9	X-RAY DIFFRACTION	9	( CHAIN A AND RESID 175:183 )	A	175 - 183
10	X-RAY DIFFRACTION	10	( CHAIN B AND RESID 6:28 )	B	6 - 28
11	X-RAY DIFFRACTION	11	( CHAIN B AND RESID 29:49 )	B	29 - 49
12	X-RAY DIFFRACTION	12	( CHAIN B AND RESID 50:105 )	B	50 - 105
13	X-RAY DIFFRACTION	13	( CHAIN B AND RESID 106:174 )	B	106 - 174
14	X-RAY DIFFRACTION	14	( CHAIN B AND RESID 175:183 )	B	175 - 183
15	X-RAY DIFFRACTION	15	( CHAIN C AND RESID 1:20 )	C	1 - 20
16	X-RAY DIFFRACTION	16	( CHAIN C AND RESID 21:28 )	C	21 - 28
17	X-RAY DIFFRACTION	17	( CHAIN C AND RESID 29:49 )	C	29 - 49
18	X-RAY DIFFRACTION	18	( CHAIN C AND RESID 50:74 )	C	50 - 74
19	X-RAY DIFFRACTION	19	( CHAIN C AND RESID 75:84 )	C	75 - 84
20	X-RAY DIFFRACTION	20	( CHAIN C AND RESID 85:105 )	C	85 - 105
21	X-RAY DIFFRACTION	21	( CHAIN C AND RESID 106:120 )	C	106 - 120
22	X-RAY DIFFRACTION	22	( CHAIN C AND RESID 121:174 )	C	121 - 174
23	X-RAY DIFFRACTION	23	( CHAIN C AND RESID 175:186 )	C	175 - 186
24	X-RAY DIFFRACTION	24	( CHAIN D AND RESID 3:28 )	D	3 - 28
25	X-RAY DIFFRACTION	25	( CHAIN D AND RESID 29:74 )	D	29 - 74
26	X-RAY DIFFRACTION	26	( CHAIN D AND RESID 75:105 )	D	75 - 105
27	X-RAY DIFFRACTION	27	( CHAIN D AND RESID 106:120 )	D	106 - 120
28	X-RAY DIFFRACTION	28	( CHAIN D AND RESID 121:150 )	D	121 - 150
29	X-RAY DIFFRACTION	29	( CHAIN D AND RESID 151:174 )	D	151 - 174
30	X-RAY DIFFRACTION	30	( CHAIN D AND RESID 175:182 )	D	175 - 182
31	X-RAY DIFFRACTION	31	( CHAIN E AND RESID 10:14 )	E	10 - 14
32	X-RAY DIFFRACTION	32	( CHAIN E AND RESID 15:28 )	E	15 - 28
33	X-RAY DIFFRACTION	33	( CHAIN E AND RESID 29:74 )	E	29 - 74
34	X-RAY DIFFRACTION	34	( CHAIN E AND RESID 75:90 )	E	75 - 90
35	X-RAY DIFFRACTION	35	( CHAIN E AND RESID 91:105 )	E	91 - 105
36	X-RAY DIFFRACTION	36	( CHAIN E AND RESID 106:145 )	E	106 - 145
37	X-RAY DIFFRACTION	37	( CHAIN E AND RESID 146:150 )	E	146 - 150
38	X-RAY DIFFRACTION	38	( CHAIN E AND RESID 151:174 )	E	151 - 174
39	X-RAY DIFFRACTION	39	( CHAIN E AND RESID 175:185 )	E	175 - 185
40	X-RAY DIFFRACTION	40	( CHAIN F AND RESID 28:49 )	F	28 - 49
41	X-RAY DIFFRACTION	41	( CHAIN F AND RESID 50:74 )	F	50 - 74
42	X-RAY DIFFRACTION	42	( CHAIN F AND RESID 75:105 )	F	75 - 105
43	X-RAY DIFFRACTION	43	( CHAIN F AND RESID 106:150 )	F	106 - 150
44	X-RAY DIFFRACTION	44	( CHAIN F AND RESID 151:183 )	F	151 - 183

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