PDB-5vok: Crystal structure of the C7orf59-HBXIP dimer

ID or keywords:

Entry

Database: PDB / ID: 5vok

Title

Crystal structure of the C7orf59-HBXIP dimer

Components

Ragulator complex protein LAMTOR4
Ragulator complex protein LAMTOR5

Keywords

SIGNALING PROTEIN / C7orf59 / Ragulator / Roadblock / mTOR

Function / homology

Function and homology information

positive regulation of RNA polymerase II regulatory region sequence-specific DNA binding / FNIP-folliculin RagC/D GAP / Ragulator complex / protein localization to lysosome / TORC1 signaling / Amino acids regulate mTORC1 / MTOR signalling / Energy dependent regulation of mTOR by LKB1-AMPK / regulation of cell size / Macroautophagy ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.89 Å

Authors

Rasheed, N. / Nascimento, A.F.Z. / Bar-Peled, L. / Shen, K. / Sabatini, D.M. / Aparicio, R. / Smetana, J.H.C.

Funding support

Brazil, 2items

Organization	Grant number	Country
Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq-Brazil)	190174/2012-9	Brazil
Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP-Brazil)	2014/12445-0	Brazil

Citation

Journal: Febs Open Bio / Year: 2019
Title: C7orf59/Lamtor4 phosphorylation and structural flexibility modulate Ragulator assembly.
Authors: Rasheed, N. / Lima, T.B. / Mercaldi, G.F. / Nascimento, A.F.Z. / Silva, A.L.S. / Righetto, G.L. / Bar-Peled, L. / Shen, K. / Sabatini Shen, D.M. / Gozzo, F.C. / Aparicio, R. / Smetana, J.H.C.

History

Deposition	May 3, 2017	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 23, 2018	Provider: repository / Type: Initial release
Revision 1.1	Jul 31, 2019	Group: Data collection / 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.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.name
Revision 1.2	Oct 4, 2023	Group: Advisory / Data collection ...Advisory / Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_unobs_or_zero_occ_atoms Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5vok.cif.gz	284.3 KB	Display	PDBx/mmCIF format
PDB format	pdb5vok.ent.gz	236.6 KB	Display	PDB format
PDBx/mmJSON format	5vok.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	5vok_validation.pdf.gz	493.2 KB	Display	wwPDB validaton report
Full document	5vok_full_validation.pdf.gz	534.3 KB	Display
Data in XML	5vok_validation.xml.gz	31.1 KB	Display
Data in CIF	5vok_validation.cif.gz	40.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/vo/5vok ftp://data.pdbj.org/pub/pdb/validation_reports/vo/5vok	HTTPS FTP

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Related structure data

Related structure data	3ms6S 3mshS S: Starting model for refinement
Similar structure data	2ld7-d 6wmg-d 1bdb-d 2k2e-d 3unp-d 2l4x-d 6h8n-2 6zj8-1 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

3ms6S

3mshS

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#230 - Feb 2019 Initiation Factor eIF4E similarity (1) #205 - Jan 2017 Nuclear Pore Complex similarity (1)

Deposited unit

A: Ragulator complex protein LAMTOR5

B: Ragulator complex protein LAMTOR4

C: Ragulator complex protein LAMTOR5

D: Ragulator complex protein LAMTOR4

E: Ragulator complex protein LAMTOR5

F: Ragulator complex protein LAMTOR4

G: Ragulator complex protein LAMTOR5

H: Ragulator complex protein LAMTOR4

82.7 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Ragulator complex protein LAMTOR5

B: Ragulator complex protein LAMTOR4

defined by author&software
Evidence: SAXS, gel filtration, immunoprecipitation
20.7 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Ragulator complex protein LAMTOR5

D: Ragulator complex protein LAMTOR4

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

3

E: Ragulator complex protein LAMTOR5

F: Ragulator complex protein LAMTOR4

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

4

G: Ragulator complex protein LAMTOR5

H: Ragulator complex protein LAMTOR4

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

5

A: Ragulator complex protein LAMTOR5

B: Ragulator complex protein LAMTOR4

C: Ragulator complex protein LAMTOR5

D: Ragulator complex protein LAMTOR4

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

6

E: Ragulator complex protein LAMTOR5

F: Ragulator complex protein LAMTOR4

G: Ragulator complex protein LAMTOR5

H: Ragulator complex protein LAMTOR4

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

Unit cell

Length a, b, c (Å)	180.884, 64.763, 79.231
Angle α, β, γ (deg.)	90.00, 115.18, 90.00
Int Tables number	5
Space group name H-M	C121

#1: Protein	Ragulator complex protein LAMTOR5 / Hepatitis B virus X-interacting protein / HBX-interacting protein / Late endosomal/lysosomal ...Hepatitis B virus X-interacting protein / HBX-interacting protein / Late endosomal/lysosomal adaptor and MAPK and MTOR activator 5 Mass: 9622.900 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: LAMTOR5, HBXIP, XIP / Plasmid: pACYC-Duet / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: O43504
#2: Protein	Ragulator complex protein LAMTOR4 / Late endosomal/lysosomal adaptor and MAPK and MTOR activator 4 Mass: 11051.531 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: LAMTOR4, C7orf59 / Plasmid: pACYC-Duet / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q0VGL1
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.54 Å³/Da / Density % sol: 51.56 % Description: Crystals were 2D, small, plate-like and very fragile. Most of them forming clusters.
Crystal grow	Temperature: 291.15 K / Method: vapor diffusion, hanging drop Details: 4M sodium formate, 5%(v/v) glycerol and 0.01M barium chloride (as additive).

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I24 / Wavelength: 0.9686 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 4, 2016
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9686 Å / Relative weight: 1
Reflection	Resolution: 2.89→81.846 Å / Num. obs: 18719 / % possible obs: 99.5 % / Redundancy: 6.7 % / B_iso Wilson estimate: 86.24 Å² / CC_1/2: 0.993 / R_merge(I) obs: 0.171 / Net I/σ(I): 6.5
Reflection shell	Resolution: 2.89→3.07 Å / Redundancy: 6.9 % / R_merge(I) obs: 3.5 / Num. unique obs: 3004 / CC_1/2: 0.337 / % possible all: 99.1

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Processing

Software

Name	Version	Classification
PHENIX	(1.12_2829: ???)	refinement
DIALS	1.2	data reduction
Aimless	0.5.31	data scaling
MrBUMP	00.9.00	phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3MSH, 3MS6

3msh

3ms6

Resolution: 2.89→81.846 Å / Cross valid method: FREE R-VALUE / σ(F): 131.26 / Phase error: 45.01 / Stereochemistry target values: TWIN_LSQ_F

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.3124	968	5.19 %	Random selection
R_work	0.2802	-	-	-
obs	0.2854	18656	98.94 %	-

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.89→81.846 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5250	0	0	2	5252

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	5300
X-RAY DIFFRACTION	f_angle_d	1.395	7168
X-RAY DIFFRACTION	f_dihedral_angle_d	11.154	3236
X-RAY DIFFRACTION	f_chiral_restr	0.065	882
X-RAY DIFFRACTION	f_plane_restr	0.007	932

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 (%)
2.8909-3.0432	0.3604	136	0.3604	2461	X-RAY DIFFRACTION	92
3.0432-3.2338	0.3849	150	0.3483	2485	X-RAY DIFFRACTION	93
3.2338-3.4834	0.3596	124	0.3348	2508	X-RAY DIFFRACTION	95
3.4834-3.8338	0.3338	124	0.3302	2529	X-RAY DIFFRACTION	95
3.8338-4.3882	0.343	149	0.3004	2524	X-RAY DIFFRACTION	94
4.3882-5.527	0.2868	140	0.263	2534	X-RAY DIFFRACTION	94
5.527-44.6549	0.2768	127	0.2428	2640	X-RAY DIFFRACTION	95

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	9.71	4.1099	-1.5868	4.6634	3.7884	7.0934	-0.2091	0.6968	-1.8635	-1.4862	0.9233	0.6693	0.5535	-1.6437	-0.5276	1.0238	-0.2132	-0.5206	1.1261	-0.0316	1.6913	5.5682	-17.4484	34.927
2	8.3937	1.8582	-1.7251	0.4605	-0.1128	8.098	0.0885	0.393	0.7406	-0.6411	0.1497	1.1483	-0.2043	-1.3749	-0.6122	0.5817	0.0887	-0.3577	1.001	-0.1273	1.2554	10.861	-10.0117	42.8482
3	1.5773	-0.2299	-3.0412	6.8772	-1.8138	8.6674	0.0719	0.1462	-0.7456	-0.247	-0.7813	-1.1886	-1.0115	-0.3307	0.4439	0.66	0.0576	-0.383	0.8359	-0.069	1.3398	22.8952	-6.3548	41.2992
4	7.5578	-6.1795	4.7754	5.1203	-4.0827	3.2934	0.8336	0.2454	-0.7522	-0.4375	-0.1552	0.0615	-0.0243	0.9192	-0.0475	0.5709	0.1212	-0.1981	0.8337	-0.191	0.9047	17.0607	-13.2907	40.6636
5	7.5865	-3.6767	4.5437	9.4086	5.1927	9.8656	-0.4193	-5.0031	-2.425	4.118	0.2216	2.661	2.4451	-3.2474	-0.2046	1.0852	-0.3578	0.1214	1.5492	-0.0306	1.0858	49.725	-37.1865	42.3032
6	4.0437	-3.292	-1.5108	2.8755	1.1083	0.6234	0.2315	0.9732	0.6399	0.1877	0.7231	-0.7274	0.2561	0.464	-0.6137	0.6511	0.2118	-0.1106	1.2505	0.1582	0.8175	42.8884	-12.3586	43.1298
7	5.5114	0.3543	4.0616	8.5173	-0.3605	5.3361	-0.4376	-0.0447	0.2884	0.0191	0.5685	-0.7347	-0.7611	-0.1227	-0.3875	0.5677	-0.309	0.0576	0.85	0.0449	1.3469	43.286	2.0385	50.8803
8	6.9471	-0.914	-8.1439	3.3815	0.654	9.6083	0.1096	1.2986	0.239	-2.0412	0.6387	1.5504	-1.185	-0.7815	-0.8273	1.0125	-0.2293	-0.5817	1.3581	0.2491	0.8381	41.2637	2.5242	41.1406
9	6.4258	5.3307	-6.2415	4.4227	-5.1128	8.9918	0.4134	0.2355	2.4561	0.636	0.0031	0.9343	-3.3399	-0.8838	-0.4286	1.2882	0.0439	-0.3979	0.4528	0.0947	1.4474	28.6605	0.6494	48.2235
10	5.8216	-1.1394	-6.8324	5.7774	4.6098	9.9189	-0.2929	-5.5871	0.8268	3.2608	0.1145	0.6123	-0.6463	-0.4748	-0.1217	4.947	2.0941	1.8868	4.0976	-2.3494	3.6949	21.439	-8.3488	55.4532
11	8.2521	1.3888	8.2402	3.5006	-0.7168	9.5781	-0.1348	2.7383	0.3638	-0.6169	-0.8358	-0.3783	-0.0692	1.2038	0.9808	0.4521	0.2427	-0.0764	0.8895	0.0118	0.9683	32.4562	-9.7889	37.7402
12	1.6768	0.041	-0.9642	0.4243	0.0958	0.5941	-0.0604	-0.1135	-0.2671	0.2798	-0.0151	-0.2148	0.1045	0.197	-0.0632	0.2023	-0.1885	-0.2049	1.0518	0.3904	1.784	34.9526	-8.5648	48.199
13	1.5684	-1.4925	-2.704	1.4187	2.361	5.9171	-0.4226	-1.1315	1.2446	0.4367	0.0495	-0.2211	-0.3185	-0.5901	0.6869	0.2527	-0.0788	-0.7114	1.3145	0.1669	1.289	37.968	-4.1438	52.8911
14	2.045	3.8226	2.8197	7.183	5.0288	5.0756	-0.2956	0.9869	-0.6797	0.6295	0.0041	-1.008	-0.27	-0.0956	0.2985	0.5237	0.0531	0.0294	1.1123	-0.1238	0.9625	38.9003	-15.0366	37.5673
15	3.5348	-2.4229	3.7616	5.6481	-1.1258	4.5495	-0.0101	-0.5074	-0.9227	0.0214	0.1136	1.7265	0.2241	-1.202	0.3817	0.5524	0.0013	-0.0306	0.9874	0.2923	1.2683	-3.5807	-8.0041	33.9456
16	6.0047	6.1597	-4.63	7.247	-5.4157	4.0423	-1.1891	0.8417	1.0834	-1.3653	0.7394	1.4499	0.4022	-1.1459	0.6831	1.0872	0.023	-0.8658	0.9623	-0.7435	2.3213	-11.683	-2.3962	21.6594
17	1.1705	0.3973	1.9585	4.1252	0.1114	3.7057	-0.3883	-1.3987	0.3919	-0.0567	0.2184	0.3401	0.2268	-0.2689	-0.0677	0.4704	0.1026	-0.4909	1.2221	0.0851	1.0652	-2.4451	4.7114	22.5376
18	9.5	5.9494	6.5601	4.2718	3.7952	4.7227	-0.0504	-0.6728	0.9134	0.7097	1.2066	-0.5034	0.2123	0.1866	-0.8002	0.7157	0.297	-0.1748	1.0102	0.2364	1.3414	-0.3289	2.0029	29.1643
19	5.8922	-4.2264	6.5542	2.7514	-4.4543	7.068	-0.4001	1.6802	-0.8778	0.2484	0.0426	0.366	-0.1186	0.7956	0.4772	0.5018	-0.0033	-0.0871	1.0373	-0.1351	0.9575	22.5174	16.6037	25.928
20	2.9442	-0.4428	1.6756	2.8218	-0.8522	6.0068	0.5357	-0.1348	-1.0447	-0.2554	0.0863	0.5191	0.4603	-0.2333	-0.3135	1.6473	-0.0313	-1.1501	0.9757	0.3502	1.12	6.3422	26.9647	13.9466
21	2.0028	4.0726	-1.4809	2.6125	0.2736	0.5861	-1.1169	3.6528	2.5768	-3.9245	0.2236	3.8345	-1.0751	-1.2933	0.3852	1.4211	0.0253	-1.0213	1.1101	0.2612	1.3173	9.3665	18.6359	9.3047
22	6.7988	-2.7389	0.5708	2.3767	2.9372	8.4469	-0.6165	-0.1548	0.1173	0.0585	0.0062	0.1812	0.0772	-1.2844	0.3223	0.6591	-0.1098	-0.5769	0.9819	0.2825	1.2443	-1.9949	15.8681	18.151
23	3.3921	-0.4377	-0.2777	2.8566	-0.1328	1.5321	0.0208	0.9789	0.6276	-0.3579	0.5131	0.1665	-0.3654	-0.7446	-0.2016	0.4574	-0.0593	-0.0396	0.7889	0.0892	0.9476	2.8572	12.0829	26.1397
24	3.9721	-0.2768	-2.2548	2.3764	0.6859	2.9555	0.3273	-0.6609	1.7947	0.7068	0.2	-0.2984	-0.1351	-0.499	0.7009	-0.1254	0.1019	-0.858	1.566	-0.6262	1.8436	5.3264	21.0833	23.8647
25	5.9091	4.5844	1.0603	4.2152	2.1065	2.7874	-0.4182	-0.1461	-0.5084	-0.5568	0.56	0.1453	-0.4829	1.5954	-0.2775	0.5331	-0.1411	-0.0969	0.8806	0.1296	1.1503	12.7652	15.6081	21.5647
26	8.1822	-1.655	-2.1273	0.8293	-0.3427	1.7828	0.5905	-0.6464	-0.1357	0.345	-0.2878	-0.6932	-0.0584	0.299	-0.4603	0.6414	-0.1424	-0.1823	0.8622	0.0255	0.751	56.1234	5.5051	16.3989
27	4.427	4.8568	0.4583	5.3541	0.5054	0.3125	0.4879	-0.3212	-0.7483	0.7731	-0.4269	-0.1579	-0.0849	-0.1607	0.1774	0.5115	0.1777	-0.4968	2.0138	-0.4381	1.3214	48.1294	1.83	22.4598
28	7.6392	0.1406	2.8566	9.4413	-2.3934	6.4028	0.593	0.5903	-1.3181	-0.4581	-0.3385	0.3565	0.0283	0.8468	-0.2921	0.4872	-0.0185	-0.1188	0.5508	0.0312	0.8114	45.4269	0.4417	7.5822
29	5.4995	-1.6482	0.0153	5.657	1.7187	6.1476	0.5655	0.6334	0.0637	0.1826	0.4826	-0.9681	0.5503	-0.7047	-0.3638	0.5439	-0.1046	-0.1021	1.0981	-0.092	0.7438	28.5729	23.5135	-10.6503
30	5.4258	4.9321	-3.71	6.2921	-0.2728	7.6837	0.2958	0.2693	-1.2332	-0.7502	-1.0948	1.3414	0.0905	-0.3152	0.7773	0.5758	0.0933	-0.1527	0.8905	-0.2105	0.9971	26.1042	-5.6741	-2.5301
31	2.0428	0.3732	-1.8169	0.4413	-1.0457	2.9799	0.375	0.6816	-1.3265	-0.2421	-0.2555	-1.2847	1.1883	-0.475	0.0697	0.8182	0.0852	-0.2882	0.8899	0.2552	1.2678	31.8533	-8.9477	-7.6648
32	1.6766	0.0767	1.4366	0.058	-0.6052	9.3963	-0.426	-0.0814	-1.6299	0.1685	-0.4604	0.8397	1.6723	0.7863	1.0045	0.6391	0.1471	-0.0908	0.7343	0.1461	1.1024	34.8221	-8.2823	7.871
33	3.3744	-1.6357	3.6246	4.7049	-1.9743	6.3654	0.1151	-0.1486	-0.9307	-0.0932	-0.0558	0.7167	0.6226	0.7062	-0.2672	0.7974	0.0362	-0.5508	0.6347	-0.036	1.4617	36.6039	2.2967	10.8923
34	3.7271	3.5367	-5.0999	6.2913	-3.0403	8.1037	-0.7348	-1.3133	-0.1774	0.4717	0.3864	0.4212	0.3778	-0.7953	0.2295	0.7656	0.0684	-0.3412	1.3578	0.1595	0.8147	28.9405	-1.2307	5.4287
35	3.3653	-3.4859	-1.7746	5.4692	-1.9966	9.2346	0.6628	-0.134	0.9457	-0.5544	0.187	0.7722	0.2326	0.2922	-0.9406	0.6675	0.0114	-0.2524	0.9006	-0.2101	1.0596	32.647	2.4986	-3.1849
36	2.7305	-2.276	5.1616	3.3058	-6.096	1.9971	1.3843	-2.1651	3.3154	3.9615	-0.1506	6.8003	-1.0461	-5.8917	-0.7572	1.4389	0.0005	0.7845	1.8234	-0.572	2.544	69.273	3.3237	22.5315
37	5.2412	0.1898	-4.8655	0.3023	-0.2343	4.5324	-0.3944	-0.8379	-3.9243	1.4428	0.2995	-0.3683	-0.1378	0.7082	0.0282	0.9079	0.2804	-0.3365	1.1655	0.0304	1.4461	73.5371	-6.43	23.4527
38	6.918	-2.4182	-1.2228	2.5707	-1.0839	3.9394	-0.0092	-0.0193	-0.0245	0.7132	0.7339	-0.3248	0.0911	0.2023	0.0605	0.0297	0.5794	-0.8053	0.7677	0.1507	1.609	79.0339	-14.4566	16.1977
39	1.9951	1.2743	-0.0726	3.1441	1.8683	1.1533	-0.8911	0.7356	2.5694	-0.5068	0.1419	-0.8178	-1.8729	-0.3452	1.0692	0.5315	0.4546	-4.5387	0.8098	-0.8872	3.904	76.2492	-9.9503	1.9144
40	7.1332	-4.8623	1.4266	2.0059	4.7382	4.8261	-0.8761	1.1419	-0.2331	-0.1773	1.7041	1.3072	0.5452	-2.1884	-0.2784	0.6246	0.1382	-0.3777	0.8931	0.092	1.0426	67.4134	-13.7978	16.0135
41	7.2975	-0.0433	-1.6957	9.456	0.5056	8.3711	0.6906	-0.5332	-0.7865	-0.4171	1.1361	-0.1853	0.3113	-0.2277	-0.7754	0.3884	0.4734	-0.3838	1.2185	0.1102	1.4886	69.6047	-7.9727	17.8103
42	8.7527	-4.0683	7.7879	4.0576	-4.2935	7.505	-1.7806	0.9519	0.0251	1.501	0.4579	-0.9584	-1.4316	0.6194	1.1956	1.0128	0.0245	-0.2666	0.6503	-0.0299	1.1379	61.6904	-26.9914	-0.8066
43	1.1755	-1.0089	-0.7525	0.8905	0.5423	0.9933	0.6952	-0.697	-3.2097	-1.8571	-1.6527	1.0587	2.7801	2.0341	0.6182	5.3371	1.1042	-4.4	5.3788	-0.2356	6.1748	78.0435	-26.4632	-3.9911
44	5.1471	-1.783	-4.695	1.5721	1.8564	4.3387	-0.2409	-0.4944	-0.1247	-0.2557	0.6284	-0.4272	0.3621	1.1663	-0.4961	0.5012	-0.1336	-0.6276	1.0073	0.1882	1.9657	78.8831	-24.1758	10.3185
45	3.105	-0.4918	0.4443	2.3086	-0.5727	2.1019	-0.3876	-0.6877	0.2226	0.6361	0.2875	-1.0145	-0.1661	-0.4488	0.0977	0.4932	0.0884	-0.4369	0.7938	-0.1161	1.6645	69.0137	-20.0095	10.2066
46	7.5129	-3.1435	2.5041	4.5984	-4.2943	4.0726	0.0781	-0.0657	0.978	0.5057	0.537	-1.2459	0.2752	-0.5128	-0.1204	0.5489	0.0106	-0.233	0.9996	-0.0799	1.0041	67.0042	-25.9434	4.7335

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 14 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 15 through 38 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 39 through 79 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 80 through 90 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 0 through 9 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 10 through 22 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 23 through 30 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 31 through 41 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 42 through 50 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 51 through 65 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 66 through 73 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 74 through 80 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 81 through 87 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 88 through 92 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 3 through 22 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 23 through 32 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 33 through 69 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 70 through 90 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 4 through 22 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 23 through 30 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 31 through 40 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 41 through 50 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 51 through 73 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 74 through 83 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 84 through 91 )
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 1 through 32 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 33 through 40 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 41 through 90 )
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 0 through 14 )
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 15 through 29 )
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 30 through 40 )
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 41 through 52 )
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 53 through 74 )
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 75 through 82 )
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 83 through 92 )
36	X-RAY DIFFRACTION	36	chain 'G' and (resid 3 through 14 )
37	X-RAY DIFFRACTION	37	chain 'G' and (resid 15 through 38 )
38	X-RAY DIFFRACTION	38	chain 'G' and (resid 39 through 55 )
39	X-RAY DIFFRACTION	39	chain 'G' and (resid 56 through 64 )
40	X-RAY DIFFRACTION	40	chain 'G' and (resid 65 through 79 )
41	X-RAY DIFFRACTION	41	chain 'G' and (resid 80 through 90 )
42	X-RAY DIFFRACTION	42	chain 'H' and (resid 4 through 30 )
43	X-RAY DIFFRACTION	43	chain 'H' and (resid 31 through 38 )
44	X-RAY DIFFRACTION	44	chain 'H' and (resid 39 through 50 )
45	X-RAY DIFFRACTION	45	chain 'H' and (resid 51 through 79 )
46	X-RAY DIFFRACTION	46	chain 'H' and (resid 80 through 92 )

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