PDB-4uqv: methanococcus jannaschii serine hydroxymethyl-transferase in comp...

ID or keywords:

Entry

Database: PDB / ID: 4uqv

Title

methanococcus jannaschii serine hydroxymethyl-transferase in complex with PLP

Components

SERINE HYDROXYMETHYLTRANSFERASE

Keywords

TRANSFERASE / SERINE HYDROXYMETHYL-TRANSFERASE

Function / homology

Function and homology information

Transferases; Transferring one-carbon groups; Hydroxymethyl-, formyl- and related transferases / L-allo-threonine aldolase / L-allo-threonine aldolase activity / glycine hydroxymethyltransferase activity / glycine biosynthetic process from serine / tetrahydrofolate metabolic process / tetrahydrofolate interconversion / pyridoxal phosphate binding / cytoplasm
Similarity search - Function

Biological species

METHANOCALDOCOCCUS JANNASCHII (archaea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3 Å

Authors

Saccoccia, F. / Angelucci, F. / Ilari, A.

Citation

Journal: Proteins / Year: 2014
Title: The Crystal Structure of Archaeal Serine Hydroxymethyltransferase Reveals Idiosyncratic Features Likely Required to Withstand High Temperatures.
Authors: Angelucci, F. / Morea, V. / Angelaccio, S. / Saccoccia, F. / Contestabile, R. / Ilari, A.

History

Deposition	Jun 25, 2014	Deposition site: PDBE / Processing site: PDBE
Supersession	Jul 30, 2014	ID: 4BHE
Revision 1.0	Jul 30, 2014	Provider: repository / Type: Initial release
Revision 1.1	Oct 22, 2014	Group: Database references
Revision 1.2	Dec 3, 2014	Group: Database references
Revision 1.3	Jan 10, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _struct_conn.pdbx_leaving_atom_flag / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4uqv.cif.gz	1.9 MB	Display	PDBx/mmCIF format
PDB format	pdb4uqv.ent.gz	1.6 MB	Display	PDB format
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Validation report

Summary document	4uqv_validation.pdf.gz	562.9 KB	Display	wwPDB validaton report
Full document	4uqv_full_validation.pdf.gz	716.3 KB	Display
Data in XML	4uqv_validation.xml.gz	182.8 KB	Display
Data in CIF	4uqv_validation.cif.gz	239.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/uq/4uqv ftp://data.pdbj.org/pub/pdb/validation_reports/uq/4uqv	HTTPS FTP

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Related structure data

Related structure data	4bhdSC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	1eqb-2 3m5u-d 1eqb-1 2w7e-1 2w7j-1 5f8v-4 2dkj-d 5xmp-2 4bhd-d 6ymd-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

4bhdSC

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: SERINE HYDROXYMETHYLTRANSFERASE

B: SERINE HYDROXYMETHYLTRANSFERASE

C: SERINE HYDROXYMETHYLTRANSFERASE

D: SERINE HYDROXYMETHYLTRANSFERASE

E: SERINE HYDROXYMETHYLTRANSFERASE

F: SERINE HYDROXYMETHYLTRANSFERASE

G: SERINE HYDROXYMETHYLTRANSFERASE

H: SERINE HYDROXYMETHYLTRANSFERASE

I: SERINE HYDROXYMETHYLTRANSFERASE

J: SERINE HYDROXYMETHYLTRANSFERASE

K: SERINE HYDROXYMETHYLTRANSFERASE

L: SERINE HYDROXYMETHYLTRANSFERASE

hetero molecules

581 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

K: SERINE HYDROXYMETHYLTRANSFERASE

L: SERINE HYDROXYMETHYLTRANSFERASE

hetero molecules

defined by author&software
96.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

A: SERINE HYDROXYMETHYLTRANSFERASE

B: SERINE HYDROXYMETHYLTRANSFERASE

hetero molecules

defined by author&software
96.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: SERINE HYDROXYMETHYLTRANSFERASE

D: SERINE HYDROXYMETHYLTRANSFERASE

hetero molecules

defined by author&software
96.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

E: SERINE HYDROXYMETHYLTRANSFERASE

F: SERINE HYDROXYMETHYLTRANSFERASE

hetero molecules

defined by author&software
96.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

G: SERINE HYDROXYMETHYLTRANSFERASE

H: SERINE HYDROXYMETHYLTRANSFERASE

hetero molecules

defined by author&software
96.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

I: SERINE HYDROXYMETHYLTRANSFERASE

J: SERINE HYDROXYMETHYLTRANSFERASE

hetero molecules

defined by author&software
96.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	123.130, 47.160, 344.079
Angle α, β, γ (deg.)	90.00, 90.02, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	SERINE HYDROXYMETHYLTRANSFERASE / SHMT / SERINE METHYLASE / L-ALLO-THREONINE ALDOLASE Mass: 48149.758 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) METHANOCALDOCOCCUS JANNASCHII (archaea) Production host: ESCHERICHIA COLI K-12 (bacteria) / Variant (production host): HMS174 (DE3) References: UniProt: Q58992, Transferases; Transferring one-carbon groups; Hydroxymethyl-, formyl- and related transferases, L-allo-threonine aldolase
#2: Chemical	ChemComp-PLP / PYRIDOXAL-5'-PHOSPHATE / VITAMIN B6 Phosphate Mass: 247.142 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₈H₁₀NO₆P

#1: Protein

SERINE HYDROXYMETHYLTRANSFERASE / SHMT / SERINE METHYLASE / L-ALLO-THREONINE ALDOLASE

Mass: 48149.758 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

METHANOCALDOCOCCUS JANNASCHII (archaea)
Production host:

ESCHERICHIA COLI K-12 (bacteria) / Variant (production host): HMS174 (DE3)
References: UniProt: Q58992, Transferases; Transferring one-carbon groups; Hydroxymethyl-, formyl- and related transferases, L-allo-threonine aldolase

#2: Chemical

ChemComp-PLP / PYRIDOXAL-5'-PHOSPHATE / VITAMIN B6 Phosphate

Mass: 247.142 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₈H₁₀NO₆P

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 1.8 Å³/Da / Density % sol: 30.2 % / Description: NONE
Crystal grow	Details: (NH)2SO4 1.8M, NH4F 0.1M, 2MM PLP

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.918
Detector	Type: MARRESEARCH / Detector: CCD
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.918 Å / Relative weight: 1
Reflection twin	Operator: -h,-k,l / Fraction: 0.5
Reflection	Resolution: 3→50 Å / Num. obs: 80852 / % possible obs: 99.4 % / Observed criterion σ(I): -3 / Redundancy: 9.1 % / R_merge(I) obs: 0.28 / Net I/σ(I): 6
Reflection shell	Resolution: 3→3.18 Å / Redundancy: 8.7 % / R_merge(I) obs: 1.45 / Mean I/σ(I) obs: 1.2 / % possible all: 97.2

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE: DEV_1702)	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4BHD

4bhd

Resolution: 3→49.154 Å / σ(F): 1.33 / Phase error: 25.81 / Stereochemistry target values: TWIN_LSQ_F

	R_factor	Num. reflection	% reflection
R_free	0.2429	4053	5.01 %
R_work	0.1976	-	-
obs	0.2016	80956	99.76 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 3→49.154 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	40190	0	180	0	40370

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	41282
X-RAY DIFFRACTION	f_angle_d	0.99	55702
X-RAY DIFFRACTION	f_dihedral_angle_d	16.528	15410
X-RAY DIFFRACTION	f_chiral_restr	0.037	5969
X-RAY DIFFRACTION	f_plane_restr	0.004	7237

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 (%)
3.0002-3.0519	0.3176	197	0.2472	3714	X-RAY DIFFRACTION	94
3.0519-3.1074	0.2864	201	0.2504	3813	X-RAY DIFFRACTION	95
3.1074-3.1671	0.3002	203	0.2528	3846	X-RAY DIFFRACTION	95
3.1671-3.2318	0.2822	197	0.2446	3743	X-RAY DIFFRACTION	95
3.2318-3.302	0.3179	201	0.2405	3826	X-RAY DIFFRACTION	95
3.302-3.3788	0.2718	204	0.2343	3869	X-RAY DIFFRACTION	95
3.3788-3.4633	0.2849	196	0.2368	3738	X-RAY DIFFRACTION	95
3.4633-3.5569	0.2705	200	0.2298	3798	X-RAY DIFFRACTION	95
3.5569-3.6615	0.258	204	0.2197	3864	X-RAY DIFFRACTION	95
3.6615-3.7797	0.2567	199	0.202	3782	X-RAY DIFFRACTION	95
3.7797-3.9147	0.2304	204	0.1906	3890	X-RAY DIFFRACTION	95
3.9147-4.0713	0.239	197	0.1914	3735	X-RAY DIFFRACTION	95
4.0713-4.2565	0.2176	207	0.1854	3929	X-RAY DIFFRACTION	95
4.2565-4.4808	0.2339	197	0.179	3749	X-RAY DIFFRACTION	95
4.4808-4.7612	0.1965	206	0.1694	3916	X-RAY DIFFRACTION	95
4.7612-5.1284	0.2246	203	0.1665	3863	X-RAY DIFFRACTION	95
5.1284-5.6437	0.2316	204	0.1848	3866	X-RAY DIFFRACTION	95
5.6437-6.4586	0.2481	206	0.196	3919	X-RAY DIFFRACTION	95
6.4586-8.1302	0.2074	209	0.1777	3962	X-RAY DIFFRACTION	95
8.1302-46.7288	0.2298	215	0.1886	4081	X-RAY DIFFRACTION	94

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	0.4313	-0.6535	-0.2299	1.8854	0.5929	0.5523	-0.2013	-0.1652	-0.1163	0.1057	0.0356	0.1855	0.0755	-0.1603	-0.0132	0.3438	0.0415	-0.0362	0.3767	0.0056	0.0407	9.2602	17.6847	24.8818
2	0.3861	-0.3956	0.6476	2.1756	-0.7733	1.0733	-0.1781	-0.1804	-0.176	0.2432	0.1922	0.2139	-0.2017	-0.2085	-0.0022	0.3102	0.1511	0.0245	0.3716	0.0366	0.2017	4.592	25.4208	28.8909
3	1.4384	0.6911	0.2539	1.7931	-0.0711	0.8865	0.1755	-0.1973	-0.311	0.0011	0.0808	0.5238	0.1958	-0.6887	0.0148	0.1842	-0.0297	-0.0504	0.6246	0.0228	0.5757	-11.5978	7.3206	22.4949
4	1.0066	-0.1107	0.3848	1.7766	-0.8888	1.2814	-0.038	-0.0379	-0.0882	-0.0233	-0.1076	-0.4344	-0.1645	0.1187	-0.0021	0.2487	0.1293	-0.0085	0.2638	-0.0564	0.3345	26.9792	9.5408	20.7661
5	1.2818	0.1037	0.1741	0.6857	-0.5994	0.5008	0.0647	0.1097	0.0323	-0.0634	-0.1107	-0.206	-0.2131	0.2957	0	0.4304	0.0075	0.0375	0.4372	-0.0593	0.3845	33.6256	14.9695	11.2724
6	1.3236	-0.0322	0.2848	0.1968	0.045	0.4597	-0.2328	0.7266	0.4947	-0.3812	0.2478	-0.1625	-0.231	0.2974	0.0017	0.6711	-0.0969	0.0601	0.6947	-0.0361	0.4134	28.8558	22.3892	-3.9999
7	0.9176	0.9214	-0.1239	2.0912	-0.3779	0.8092	-0.0302	0.0966	0.01	0.3786	-0.0266	-0.1819	-0.0227	0.0237	-0.0005	0.2866	0.1056	-0.031	0.38	0.0233	0.2706	9.7175	0.5061	67.3672
8	0.5617	-0.4702	0.3545	2.003	0.1579	0.602	-0.0846	0.1013	-0.1004	0.5783	0.1209	-0.2189	0.1021	0.1753	-0.0001	0.5404	0.0223	-0.0671	0.4258	0.0054	0.3744	17.4414	-6.4148	76.7053
9	0.5731	-0.0317	0.1096	3.1029	-0.0194	0.014	-0.7438	-0.4783	0.0765	0.2351	0.37	-0.6265	-0.1599	-0.3551	-0.1441	0.9603	-0.0057	0.1754	0.751	-0.0883	0.2224	7.09	-8.4774	93.2332
10	1.0658	0.2553	0.5771	2.6196	0.387	0.9569	-0.007	0.0206	0.1781	0.2013	-0.1114	1.0302	0.1191	-0.1398	-0.0209	0.2104	-0.0119	0.1708	0.3604	0.0705	0.5721	-10.7112	-4.297	63.7675
11	0.295	-0.2526	-0.237	1.4102	-0.6053	0.5962	0.2346	0.0361	0.1273	-0.2266	0.1567	1.0303	0.2111	-0.1766	0.1767	0.1607	-0.0441	0.2131	0.3664	0.1454	1.0503	-20.3717	-2.6707	63.4875
12	1.0631	0.5942	0.1001	0.9935	0.0213	0.0102	0.0579	0.163	0.132	0.5297	-0.1345	0.3349	-0.1461	-0.1129	-0.0146	0.3057	0.0397	0.299	0.6657	0.162	1.2516	-25.1211	10.1771	75.8339
13	1.2356	-0.3949	-0.0883	2.7741	0.209	1.0239	-0.2143	-0.1107	-0.2106	0.2606	-0.027	0.2045	-0.0293	-0.0083	-0.0019	0.2862	0.0365	-0.0697	0.4982	0.0469	0.4654	56.4694	-18.7124	47.2019
14	0.5203	0.0409	0.0467	0.7777	0.4727	0.285	0.0248	-0.0564	0.2164	0.9172	-0.1886	0.4481	-0.6884	-0.4217	0.0021	1.03	0.0381	-0.1468	0.6226	-0.0318	0.6865	50.7791	-1.0991	64.5236
15	0.4739	0.2441	0.2853	0.6316	0.1695	0.2502	0.5546	-0.4586	-0.0854	0.1033	-0.3112	-0.2231	0.0325	0.2237	0.0008	0.8069	-0.122	-0.0785	0.9157	0.0662	0.4239	66.6242	-4.0359	66.0546
16	0.6946	0.0761	-0.5161	2.7065	-0.462	1.0621	0.0037	0.0847	-0.0097	-0.2387	0.066	-0.3553	-0.239	-0.1706	0.0004	0.3588	0.0178	-0.0951	0.5747	0.034	0.4201	66.5566	-11.5042	31.3512
17	0.8583	-0.0055	-0.4486	0.76	-0.6889	0.7906	0.0148	0.0167	0.0407	-0.677	-0.2591	-0.2784	-0.4918	0.0893	-0.0137	0.5562	-0.0802	-0.0635	0.5744	0.0635	0.453	72.0088	-8.9677	22.0777
18	0.8088	-0.4395	-0.4496	0.6911	0.4886	1.1261	-0.2631	0.0551	-0.145	-0.1728	-0.16	-0.3387	-0.1988	0.1397	-0.1475	0.2351	-0.106	0.1768	0.7568	0.2004	0.8463	84.2764	-26.5613	25.8343
19	0.6621	0.1787	-0.3064	0.8448	-0.3146	1.0035	-0.0793	-0.1167	0.0545	0.1918	0.2251	-0.0077	0.1818	-0.04	0.0023	0.2624	-0.0648	0.0712	0.2707	-0.0368	0.2939	-50.5548	4.1089	162.1208
20	0.6768	-0.6806	-0.0883	0.6385	0.2236	1.8414	0.0473	0.1219	-0.0332	-0.0901	-0.0897	0.2731	0.0748	-0.2308	0.0008	0.3462	-0.1487	0.0457	0.4321	-0.0839	0.2414	-54.9897	-4.788	136.6667
21	1.0393	0.0278	-0.2347	0.9901	-0.4502	1.4843	-0.1977	0.4142	0.3335	0.0353	0.0242	0.5787	-0.0137	-0.1974	-0.0074	0.211	-0.1554	0.0438	0.4617	0.0388	0.4552	-69.9969	7.7947	150.9938
22	1.7017	-0.242	0.0574	0.699	0.5705	0.461	-0.1684	0.027	0.2259	0.2249	-0.0372	0.1	-0.0256	0.2276	-0.0791	0.4336	-0.0666	0.1711	0.328	-0.0298	0.1145	-49.6036	3.3726	162.6111
23	1.0497	-0.751	-0.2555	0.7129	-0.0332	0.6208	0.0331	0.0498	-0.1197	-0.0986	-0.0132	-0.3877	-0.0787	0.3133	0.0036	0.2741	-0.1007	0.1257	0.4412	-0.0048	0.4023	-29.4991	12.4174	146.3095
24	0.782	0.7372	0.5004	1.9255	-0.4256	0.7623	-0.0882	0.1905	-0.2633	0.4635	-0.0249	-0.6535	0.0285	0.2283	-0.0011	0.4254	-0.0099	-0.0882	0.443	-0.0535	0.4581	-27.2934	-0.0847	167.0721
25	1.3087	0.1143	-0.063	0.1185	-0.1781	0.2414	0.1973	0.1649	0.6252	-0.2805	-0.0851	0.1389	-0.3269	-0.1079	0.4697	0.9286	0.4382	-0.1022	0.1689	0.1282	0.3935	-61.1099	31.6108	85.1012
26	1.2407	1.001	0.0608	2.4459	-0.561	0.2344	0.1355	-0.191	0.1531	-0.3678	-0.1392	0.0273	-0.2203	0.3082	0.028	0.2581	0.0119	-0.0609	0.36	0.0259	0.3211	-49.8966	15.1549	108.2188
27	1.3088	0.3418	0.1468	1.9919	-1.216	1.08	-0.087	0.1239	0.1483	-0.4314	-0.0277	-0.2574	0.0493	-0.0397	0.0019	0.4753	-0.009	0.0031	0.3304	-0.014	0.2744	-45.6654	25.2547	92.4313
28	1.0678	0.5824	0.1689	1.2415	-0.0725	0.9546	-0.0482	-0.1071	0.1025	-0.307	0.1241	0.192	-0.0358	0.0038	0	0.4581	0.0105	-0.1017	0.3277	0.0196	0.4361	-70.5994	22.4766	105.5167
29	0.3856	0.0069	-0.4605	0.5848	0.0272	0.7731	0.3259	-0.3922	-0.2326	0.2903	0.2293	-0.0536	-0.5612	-0.1111	0.0277	0.4037	0.0061	-0.0127	0.6301	0.1094	0.6733	-80.1963	29.9902	120.1629
30	1.3851	0.4847	-0.3001	1.0392	0.3807	0.2012	0.0664	-0.048	-0.1855	-0.1241	-0.1086	0.0345	-0.0745	0.0095	-0	0.2961	-0.0246	-0.1351	0.4402	0.08	0.4888	-84.9366	14.355	103.8354
31	0.6784	-1.0055	0.7621	2.2848	-0.0953	1.6116	-0.1456	-0.1655	-0.1736	-0.1484	-0.1488	0.0912	0.2309	0.0555	-0.0003	0.3677	-0.0527	0.0632	0.5442	0.0687	0.4434	-5.8831	36.1144	124.602
32	1.1116	-0.6167	0.1249	0.9388	-0.8117	0.8983	0.0475	0.2474	0.2861	-0.2276	-0.4277	0.0672	-0.0537	-0.0837	-0.0033	0.4698	-0.0159	0.0004	0.6333	0.0589	0.3908	-3.8188	36.457	115.1443
33	1.0118	-0.2996	0.2779	0.1522	0.1981	1.1655	0.0571	0.2846	-0.2559	-0.2323	0.0142	-0.0951	0.3934	0.3878	-0.0001	0.7661	0.168	0.0767	0.7	0.0437	0.4455	0.995	20.0037	108.2736
34	0.6363	-0.7929	-0.2656	1.0668	0.0202	1.1417	-0.4473	0.0417	0.0575	0.0964	-0.0275	0.0888	0.2233	0.3214	-0.0001	0.4578	-0.0356	0.0155	0.6645	0.174	0.637	14.587	35.563	127.867
35	0.6949	-0.6051	0.2889	0.4829	-0.2979	1.2924	-0.0862	-0.0067	0.0583	0.2471	-0.1054	-0.0183	-0.1411	-0.2193	-0.0002	0.5662	0.0389	0.0248	0.5605	0.0005	0.4736	2.7551	24.7408	147.3479
36	1.4461	1.3218	-0.555	1.1855	-0.5188	0.2162	-0.1182	-0.1232	0.1602	0.3718	-0.159	-0.7534	0.2038	0.1886	0.006	0.5507	0.1045	-0.2596	0.6921	0.1778	0.8559	22.5896	41.9524	149.1333

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(CHAIN A AND RESID 1:161)
2	X-RAY DIFFRACTION	2	(CHAIN A AND RESID 162:292)
3	X-RAY DIFFRACTION	3	(CHAIN A AND RESID 293:429)
4	X-RAY DIFFRACTION	4	(CHAIN B AND RESID 1:221)
5	X-RAY DIFFRACTION	5	(CHAIN B AND RESID 222:382)
6	X-RAY DIFFRACTION	6	(CHAIN B AND RESID 383:429)
7	X-RAY DIFFRACTION	7	(CHAIN C AND RESID 3:210)
8	X-RAY DIFFRACTION	8	(CHAIN C AND RESID 211:394)
9	X-RAY DIFFRACTION	9	(CHAIN C AND RESID 395:429)
10	X-RAY DIFFRACTION	10	(CHAIN D AND RESID 1:181)
11	X-RAY DIFFRACTION	11	(CHAIN D AND RESID 182:350)
12	X-RAY DIFFRACTION	12	(CHAIN D AND RESID 351:429)
13	X-RAY DIFFRACTION	13	(CHAIN E AND RESID 3:282)
14	X-RAY DIFFRACTION	14	(CHAIN E AND RESID 283:356)
15	X-RAY DIFFRACTION	15	(CHAIN E AND RESID 357:429)
16	X-RAY DIFFRACTION	16	(CHAIN F AND RESID 1:165)
17	X-RAY DIFFRACTION	17	(CHAIN F AND RESID 166:327)
18	X-RAY DIFFRACTION	18	(CHAIN F AND RESID 328:429)
19	X-RAY DIFFRACTION	19	(CHAIN G AND RESID 1:70)
20	X-RAY DIFFRACTION	20	(CHAIN G AND RESID 71:250)
21	X-RAY DIFFRACTION	21	(CHAIN G AND RESID 251:429)
22	X-RAY DIFFRACTION	22	(CHAIN H AND RESID 1:70)
23	X-RAY DIFFRACTION	23	(CHAIN H AND RESID 71:250)
24	X-RAY DIFFRACTION	24	(CHAIN H AND RESID 251:429)
25	X-RAY DIFFRACTION	25	(CHAIN I AND RESID 3:32)
26	X-RAY DIFFRACTION	26	(CHAIN I AND RESID 33:214)
27	X-RAY DIFFRACTION	27	(CHAIN I AND RESID 215:429)
28	X-RAY DIFFRACTION	28	(CHAIN J AND RESID 1:154)
29	X-RAY DIFFRACTION	29	(CHAIN J AND RESID 155:221)
30	X-RAY DIFFRACTION	30	(CHAIN J AND RESID 222:429)
31	X-RAY DIFFRACTION	31	(CHAIN K AND RESID 3:239)
32	X-RAY DIFFRACTION	32	(CHAIN K AND RESID 240:312)
33	X-RAY DIFFRACTION	33	(CHAIN K AND RESID 313:429)
34	X-RAY DIFFRACTION	34	(CHAIN L AND RESID 2:60)
35	X-RAY DIFFRACTION	35	(CHAIN L AND RESID 61:268)
36	X-RAY DIFFRACTION	36	(CHAIN L AND RESID 269:429)

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