PDB-7ok7: Crystal structure of the UNC119B ARL3 complex

ID or keywords:

Entry

Database: PDB / ID: 7ok7

Title

Crystal structure of the UNC119B ARL3 complex

Components

ADP-ribosylation factor-like protein 3
Protein unc-119 homolog B

Keywords

PROTEIN TRANSPORT / Complex / g-protein

Function / homology

Function and homology information

Trafficking of myristoylated proteins to the cilium / Trafficking of myristoylated proteins to the cilium / photoreceptor cell development / protein localization to ciliary membrane / intraciliary transport / post-Golgi vesicle-mediated transport / ciliary transition zone / photoreceptor connecting cilium / Golgi to plasma membrane transport / lipoprotein transport ...
Similarity search - Function

Biological species

Mus musculus (house mouse)

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.15 Å

Authors

Yelland, T. / Ismail, S.

Funding support

1items

Citation

Journal: Biochemistry / Year: 2021
Title: The Structural and Biochemical Characterization of UNC119B Cargo Binding and Release Mechanisms.
Authors: Yelland, T. / Garcia, E. / Samarakoon, Y. / Ismail, S.

History

Deposition	May 17, 2021	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jun 9, 2021	Provider: repository / Type: Initial release
Revision 1.1	Jul 14, 2021	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2	Nov 30, 2022	Group: Database references / Category: citation / citation_author / database_2 Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3	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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PDBx/mmCIF format	7ok7.cif.gz	868.5 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	7ok7_validation.pdf.gz	2.2 MB	Display	wwPDB validaton report
Full document	7ok7_full_validation.pdf.gz	2.2 MB	Display
Data in XML	7ok7_validation.xml.gz	76.2 KB	Display
Data in CIF	7ok7_validation.cif.gz	96.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ok/7ok7 ftp://data.pdbj.org/pub/pdb/validation_reports/ok/7ok7	HTTPS FTP

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Related structure data

Related structure data	7ok6C 4gojS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	3v5c-3 3e92-d 3un3-2 5tv2-d 1ohe-d 4loi-d 6dwu-20 5ty0-d 2ggo-d 3m8y-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) 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

7ok6C

4gojS

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#148 - Apr 2012 Ras Protein similarity (1) #81 - Sep 2006 Elongation Factors similarity (1) #245 - May 2020 Spliceosomes similarity (1)

Deposited unit

A: ADP-ribosylation factor-like protein 3

B: ADP-ribosylation factor-like protein 3

C: ADP-ribosylation factor-like protein 3

D: ADP-ribosylation factor-like protein 3

E: ADP-ribosylation factor-like protein 3

F: ADP-ribosylation factor-like protein 3

G: Protein unc-119 homolog B

H: Protein unc-119 homolog B

I: Protein unc-119 homolog B

J: Protein unc-119 homolog B

K: Protein unc-119 homolog B

L: Protein unc-119 homolog B

hetero molecules

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

1

A: ADP-ribosylation factor-like protein 3

I: Protein unc-119 homolog B

hetero molecules

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

2

B: ADP-ribosylation factor-like protein 3

G: Protein unc-119 homolog B

hetero molecules

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

3

C: ADP-ribosylation factor-like protein 3

H: Protein unc-119 homolog B

hetero molecules

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

4

D: ADP-ribosylation factor-like protein 3

hetero molecules

defined by author
21.3 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

E: ADP-ribosylation factor-like protein 3

K: Protein unc-119 homolog B

hetero molecules

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

6

F: ADP-ribosylation factor-like protein 3

hetero molecules

defined by author
21.3 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

7

J: Protein unc-119 homolog B

hetero molecules

defined by author
21.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

8

L: Protein unc-119 homolog B

hetero molecules

defined by author
21.7 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	110.270, 152.190, 171.840
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

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Protein , 2 types, 12 molecules ABCDEFGHIJKL

#1: Protein	ADP-ribosylation factor-like protein 3 Mass: 20728.662 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Details: ARL3 small g-protein / Source: (gene. exp.) Mus musculus (house mouse) / Gene: Arl3 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9WUL7
#2: Protein	Protein unc-119 homolog B Mass: 21610.197 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: UNC119B / Production host: Escherichia coli (E. coli) / References: UniProt: A6NIH7

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Non-polymers , 6 types, 45 molecules

#3: Chemical	ChemComp-GNP / PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Mass: 522.196 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₁₀H₁₇N₆O₁₃P₃ Comment: GppNHp, GMPPNP, energy-carrying molecule analogue*YM
#4: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mg
#5: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: PO₄
#6: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₃H₈O₃
#7: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂H₆O₂
#8: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 21 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	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: 2.98 Å³/Da / Density % sol: 58.75 %
Crystal grow	Temperature: 279 K / Method: vapor diffusion, sitting drop Details: 1.00 M Ammonium di-hydrogen phosphate, 0.1M Tris PH7.5

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I04-1 / Wavelength: 0.91587 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 24, 2019
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.91587 Å / Relative weight: 1
Reflection	Resolution: 3.15→74.82 Å / Num. obs: 50733 / % possible obs: 99.9 % / Redundancy: 6.7 % / CC_1/2: 0.998 / Net I/σ(I): 0.114
Reflection shell	Resolution: 3.15→3.23 Å / Num. unique obs: 3702 / CC_1/2: 0.782

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Processing

Software

Name	Version	Classification
PHENIX	(1.15.2_3472: ???)	refinement
DIALS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4goj

4goj

Resolution: 3.15→74.82 Å / SU ML: 0.43 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 27.2 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2699	2574	5.08 %
R_work	0.2214	-	-
obs	0.2239	50657	99.89 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 3.15→74.82 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16963	0	132	21	17116

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	17451
X-RAY DIFFRACTION	f_angle_d	0.712	23666
X-RAY DIFFRACTION	f_dihedral_angle_d	7.577	10721
X-RAY DIFFRACTION	f_chiral_restr	0.049	2614
X-RAY DIFFRACTION	f_plane_restr	0.004	3030

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 (%)
3.15-3.2106	0.3218	124	0.3132	2630	X-RAY DIFFRACTION	100
3.2106-3.2761	0.3662	157	0.3105	2615	X-RAY DIFFRACTION	100
3.2761-3.3474	0.3444	142	0.2919	2652	X-RAY DIFFRACTION	100
3.3474-3.4252	0.3443	115	0.2872	2659	X-RAY DIFFRACTION	100
3.4252-3.5109	0.3359	141	0.2688	2619	X-RAY DIFFRACTION	100
3.5109-3.6058	0.3003	154	0.2608	2636	X-RAY DIFFRACTION	100
3.6058-3.7119	0.2884	129	0.248	2673	X-RAY DIFFRACTION	100
3.7119-3.8317	0.2985	153	0.2521	2641	X-RAY DIFFRACTION	100
3.8317-3.9687	0.2969	136	0.2428	2640	X-RAY DIFFRACTION	100
3.9687-4.1276	0.2383	160	0.2175	2639	X-RAY DIFFRACTION	100
4.1276-4.3154	0.284	165	0.2059	2644	X-RAY DIFFRACTION	100
4.3154-4.5429	0.2436	142	0.1878	2673	X-RAY DIFFRACTION	100
4.5429-4.8275	0.2283	146	0.1832	2664	X-RAY DIFFRACTION	100
4.8275-5.2001	0.2616	153	0.1834	2669	X-RAY DIFFRACTION	100
5.2001-5.7233	0.2496	127	0.2007	2706	X-RAY DIFFRACTION	100
5.7233-6.551	0.2627	145	0.2349	2711	X-RAY DIFFRACTION	100
6.551-8.2519	0.2554	137	0.2058	2743	X-RAY DIFFRACTION	100
8.2519-74.82	0.2411	148	0.2	2869	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	3.2864	1.0793	0.3845	0.896	0.9735	1.1198	0.7686	-1.3032	0.943	0.7253	-0.5105	1.3804	1.3421	-1.1958	-0.1891	1.096	-0.12	-0.0156	0.6742	0.1363	1.6012	4.1064	47.0145	56.453
2	3.1515	0.9782	1.137	2.1141	-0.3849	3.3939	-0.1275	-0.2789	-0.0998	0.2056	0.1944	-0.0006	0.0554	0.3776	0.0257	0.4153	0.0266	-0.0098	0.333	0.0566	0.4869	16.6811	20.2151	46.5413
3	4.0968	2.0309	1.0165	4.6581	-0.2031	3.9158	-0.2252	-0.322	0.1159	-0.0636	0.0448	0.5625	0.1723	-0.3969	-0.0078	0.5514	-0.0938	-0.0182	0.4418	0.1383	0.6075	6.7441	21.0695	46.4444
4	4.6013	-0.2349	1.1351	2.7796	-0.7678	3.3791	0.0515	0.7337	-0.5158	-0.3537	0.0565	0.2685	0.5614	0.0903	-0.1328	0.4988	-0.0483	-0.0729	0.4329	0.0693	0.4057	14.182	18.7109	32.4287
5	1.9398	-0.5805	-0.6409	4.6471	0.7022	3.4581	-0.9807	1.2499	0.2935	-0.2788	0.4737	0.6164	-0.0123	-0.2278	0.156	0.5004	0.001	-0.1412	0.6475	0.1949	0.587	11.8064	23.7026	23.8656
6	1.2423	-1.5909	0.5687	1.9271	-0.3509	1.1954	-0.0612	0.661	1.1654	-0.4301	-0.1625	-0.3969	-0.7032	0.326	0.1623	0.7289	-0.0684	-0.0185	0.4077	0.1645	0.6416	17.2876	31.2156	36.182
7	0.1078	-0.473	-0.4841	2.6363	2.0162	1.6344	0.056	0.6378	-0.2575	0.5982	-0.4729	0.4811	0.2385	-0.4028	-0.3388	0.5329	0.215	0.0809	0.5368	0.1223	0.5589	64.1962	75.4888	32.7142
8	3.8003	0.2731	0.7404	2.4628	0.5531	2.8451	0.2382	-0.3723	-0.2248	0.4542	-0.2736	0.1924	0.2501	-0.5078	0.0401	0.435	-0.1507	0.0648	0.5874	0.0493	0.442	56.5443	45.3783	26.3723
9	3.0535	-1.3909	0.6317	3.4926	-0.2394	2.9224	0.1014	0.4134	0.339	0.1304	-0.4467	0.6284	-0.307	-0.752	0.3334	0.5157	-0.093	0.0927	0.5839	-0.0429	0.697	47.5868	52.4439	20.1517
10	0.7527	0.2277	-0.6077	4.5915	-0.2859	0.2677	0.2774	-0.4627	0.1427	-0.3358	-0.0477	-0.8978	-0.2868	-0.4486	-0.2148	0.7703	-0.0846	0.0577	0.6229	0.0174	0.5254	31.3088	54.0668	-0.7089
11	1.8814	0.4188	0.5439	0.4222	0.0545	4.6648	0.1951	-0.3583	-0.4186	-0.0822	0.184	0.3547	0.3431	-0.4765	-0.4415	0.4373	-0.049	-0.0182	0.631	0.1503	0.411	23.7457	30.9584	-4.7428
12	2.3055	-0.8841	-0.0977	2.9817	0.3296	3.6756	-0.0415	0.326	-0.2532	0.1398	-0.0057	-0.338	-0.3838	0.7417	0.0945	0.4091	-0.0111	0.0147	0.8375	0.2162	0.5585	29.8447	33.8652	0.8378
13	2.2388	-1.4632	-1.5091	1.9125	-1.7688	4.9877	0.1731	-0.6507	-0.3881	0.5543	-0.2108	-0.4557	0.0594	0.9972	-0.0703	0.5784	-0.1496	-0.0553	0.8598	0.1518	0.5045	24.1057	29.8285	11.9571
14	2.5747	0.4994	0.2715	4.5507	1.077	2.3349	0.1071	-0.6947	0.3649	0.2946	-0.3087	0.5276	-0.686	-0.3756	0.2962	0.4501	-0.0329	0.0776	0.6816	0.103	0.5121	13.1042	37.0795	8.6925
15	4.9629	-2.9534	-3.7904	4.7972	1.0841	3.3307	-0.3339	-0.0359	1.602	0.2571	0.1057	-0.67	0.6636	0.7802	-0.3254	0.6335	-0.0369	0.134	0.6809	-0.0871	0.9484	31.7473	50.8857	15.3515
16	-0.1221	0.5696	0.0415	5.5105	-1.5572	1.0998	0.4982	-0.1373	-0.0945	1.1794	-1.5059	-1.3874	-0.3693	0.7483	0.7234	0.4556	-0.0406	-0.1052	0.5648	0.0475	0.7072	49.2336	2.7324	62.1743
17	2.5732	0.6954	0.2576	0.7921	-0.4193	1.8075	-0.0437	0.0876	0.2029	0.0757	-0.0675	-0.1508	-0.4153	0.0727	0.1	0.4871	-0.1755	-0.0507	0.5911	0.1943	0.5744	38.7026	23.991	56.7019
18	3.1629	1.5981	-0.3405	6.6129	1.5158	3.7543	0.352	-0.8031	-0.5044	-0.0196	-0.4071	-0.7451	-0.5786	0.5842	0.0134	0.6477	-0.2472	-0.0299	0.8408	0.1437	0.6441	49.9691	24.4338	61.0574
19	3.4639	-1.2364	-1.5698	2.9691	-1.1164	3.8401	-0.07	0.399	0.1474	-0.1226	0.0208	-0.4688	-0.3611	0.7187	-0.0573	0.5726	-0.1435	0.0403	0.6597	0.1639	0.6034	51.5516	23.7306	45.2677
20	0.4756	0.0089	-0.7842	5.2775	-0.311	1.3637	0.1459	0.9333	0.1172	-1.056	0.2602	1.8307	-1.4086	-0.2386	-0.1042	1.2572	0.1222	-0.4086	0.6797	-0.3139	0.5587	-10.3437	-34.1215	38.6114
21	2.211	0.8698	0.7982	2.8712	1.0364	2.1548	-0.124	-0.0409	-0.123	0.1564	0.4215	0.4834	0.2865	-0.1196	-0.2995	0.7222	-0.0422	0.0508	0.3991	0.0226	0.5063	-4.304	-7.777	27.1625
22	3.0108	-0.1254	-0.1039	4.037	1.1393	3.1191	-0.1022	0.208	-0.2268	-0.1635	0.5074	-0.4476	0.2411	0.837	-0.2947	0.6269	0.0165	-0.0527	0.5458	-0.1667	0.5828	8.4034	-9.8295	20.8205
23	7.2143	1.8646	1.9401	7.4072	2.5341	6.4142	-0.131	0.7767	1.5217	-1.5528	-0.7896	1.6525	0.042	0.3027	0.3394	0.8265	-0.1472	-0.0718	0.6156	0.1113	0.579	23.9612	49.0659	-4.7636
24	1.7574	0.061	2.5752	0.8368	-0.0469	3.6684	1.0157	-0.3124	1.9038	0.2457	0.7368	0.6979	-0.5706	-1.2541	0.2078	1.0787	0.2296	0.9203	0.771	-0.0692	1.6557	23.6757	71.1231	-0.3873
25	1.0504	0.2311	1.2337	0.888	-1.0329	3.6504	0.6148	0.3115	1.8941	0.2616	0.127	0.5976	-0.317	-0.6804	-0.421	0.8571	-0.1042	0.4616	0.8906	-0.0494	1.1204	33.7562	86.0415	-5.3638
26	0.4442	-0.6234	-0.3152	1.0843	0.0624	0.6659	-0.002	-0.1522	0.6805	0.3697	-0.0181	0.7078	0.134	-0.3151	0.0764	0.8907	0.048	0.3924	0.4749	-0.0642	1.3391	29.1165	82.6132	-11.7968
27	2.3934	-0.3027	0.4294	2.4396	-1.9388	2.0215	-0.6543	0.2999	0.6509	0.2571	1.1976	-0.2082	-0.5258	-0.7329	-0.075	1.0173	0.0457	0.5427	0.7393	0.0202	1.7399	23.72	80.4124	-4.815
28	2.3052	-0.9957	0.5101	0.396	-0.0162	1.8105	-0.7291	-1.0228	1.2649	1.1117	0.0987	0.8461	-0.6155	-0.9529	0.5674	1.6346	0.4318	1.3082	0.8224	-0.3718	2.2659	19.012	84.9173	1.9742
29	2.1456	1.9168	-0.3806	2.6052	-1.4568	1.2597	0.2589	-0.4511	1.3753	0.4911	0.0878	1.1612	-0.2148	-0.493	-0.0605	1.3835	-0.175	0.7328	0.8525	-0.3175	1.4478	34.5017	87.2268	3.6141
30	2.0726	0.02	1.2854	0.2372	-0.1973	0.6899	-0.5661	-1.9114	0.8476	0.9567	0.2499	0.0287	-0.9351	-0.6136	-0.301	2.507	0.2344	1.2644	1.1135	-0.3993	1.2352	27.6216	89.7601	10.0109
31	1.816	-0.4515	1.1392	0.8825	-1.061	1.339	-1.3136	-0.9777	0.8902	0.5048	0.8961	0.7377	0.0447	-0.4461	0.1757	1.2246	0.1109	0.4046	0.8439	-0.2341	0.9181	41.6441	86.5538	3.1938
32	2.1639	-2.2202	1.6933	2.3329	-1.76	1.3508	-1.1941	-0.7002	0.7311	1.0121	-0.5647	0.2783	0.7991	-1.3449	0.164	2.0698	-0.0176	0.7055	1.1787	-0.3603	0.9721	35.8019	84.1074	15.6733
33	3.3883	1.1675	1.4862	1.9018	-0.9834	1.8298	0.7772	-0.56	-0.7995	0.2345	-0.4328	-0.2168	-0.0006	0.1302	-0.3909	1.2744	0.0882	0.3293	0.6436	-0.0365	0.987	36.7952	75.2963	3.7308
34	2.0534	-0.1492	-0.1406	2.379	0.709	2.5875	0.1019	-0.3375	0.0433	0.5091	-0.1431	-0.2095	-0.0012	0.0686	0.0007	0.591	-0.1413	-0.0376	0.7576	0.1113	0.6577	81.4781	50.4323	38.374
35	3.0078	0.4477	1.0173	2.8087	0.3455	1.6211	0.1572	-0.5157	0.0203	0.2884	-0.3862	-0.243	0.1513	0.0639	0.2253	0.5578	-0.164	-0.0312	0.6443	0.1117	0.5453	80.7939	53.141	35.1246
36	2.9307	-0.3014	0.3264	1.9103	-0.1933	2.3543	0.1601	-0.2444	0.5004	0.4032	-0.238	-0.1998	-0.1851	-0.0718	0.0625	0.672	-0.1411	-0.0411	0.6525	0.0115	0.6136	79.8814	58.2336	36.4542
37	2.1373	-1.5254	0.9462	4.5852	-0.02	2.9918	0.444	-0.6464	-0.0233	-0.6459	0.0193	-0.081	-0.2353	1.232	-0.3173	0.7764	-0.21	-0.0392	1.3733	0.1462	0.6786	54.8699	38.8418	-11.1585
38	1.9002	0.9169	-0.5138	2.3823	-0.1942	1.0078	0.0334	-0.2117	-0.8617	-0.0007	-0.0468	0.2961	0.0841	0.2684	-0.1012	0.5857	0.1093	-0.0131	0.7088	0.2294	0.6395	37.1488	28.7021	-18.614
39	2.6085	0.126	0.3835	1.9517	-0.4109	1.7429	-0.0377	-0.121	0.143	-0.0794	-0.0004	-0.4168	-0.1775	0.3851	-0.0504	0.6797	0.0049	0.0702	0.5775	0.2176	0.5673	34.6864	39.1362	-20.9601
40	0.4296	-0.4585	-1.4701	2.6215	-0.0408	3.3942	0.3371	-0.952	0.5412	0.264	0.2112	-0.2101	-0.1094	0.8928	-0.2143	0.4262	-0.0143	-0.0642	1.2971	0.2889	0.4966	44.4153	33.8002	-7.1382
41	1.7605	-0.0967	-1.4274	2.4668	-0.952	2.3593	0.2949	-0.9142	0.3162	0.6602	-0.2405	0.5716	-0.3346	0.6465	-0.0386	0.4721	-0.0352	-0.0617	0.8553	0.0885	0.5539	38.1629	39.6691	-9.8275
42	3.6371	-1.4477	-2.2062	5.8113	3.881	3.9199	0.3306	-0.0779	0.2254	-1.8729	0.3545	-0.4062	-0.6404	0.3908	-0.582	0.706	-0.0789	0.0961	0.6892	0.1974	0.6474	41.8598	50.6401	-28.879
43	2.2527	-1.337	3.8343	3.3324	-2.942	6.6074	0.1605	-1.0643	-0.3442	-0.4598	-0.4994	-0.3858	0.8919	0.9523	0.254	0.3599	0.0235	0.0514	1.1685	0.2459	0.6144	46.761	35.8968	-14.8766
44	3.6077	0.6204	-1.0146	1.4127	0.0875	2.7013	0.439	-0.9733	-0.0769	0.2395	-0.4926	0.3105	-0.1771	-0.0477	0.0543	0.6761	-0.0701	0.0846	0.7146	0.0419	0.6111	4.8751	21.685	66.968
45	2.5045	0.042	-1.5345	3.0165	1.2214	1.1322	-0.3687	-0.2273	0.5063	1.1804	1.031	0.6901	0.0983	0.4093	-0.6174	0.8735	-0.1382	0.0729	0.9802	-0.0463	0.8041	15.772	24.8308	73.1553
46	3.7833	0.26	0.1086	2.3274	-1.6724	3.3291	0.3768	-0.8309	0.3358	0.6133	-0.2408	-0.0687	0.1978	-0.5161	-0.0043	0.6358	-0.021	0.0353	0.6064	-0.0865	0.6157	4.5983	20.8929	61.4361
47	2.04	-0.8638	1.6746	2.7725	-0.1567	1.8843	-0.0057	-1.2063	0.827	0.556	-0.2476	0.4611	-0.2821	-0.5525	0.1951	0.8207	-0.1162	0.2664	0.8808	-0.2741	0.8501	6.2159	28.4653	66.9671
48	2.7328	-0.553	-1.9898	0.6594	0.0563	1.4341	0.142	-0.8997	0.4648	0.3961	-0.1417	0.271	0.0083	0.1764	-0.0013	0.8444	-0.2315	0.0009	0.9951	-0.1913	0.6313	18.3895	-19.0521	-7.4882
49	2.0095	0.3136	-0.7142	1.1453	0.7505	1.6146	0.2883	-0.4123	-0.3006	0.7562	-0.4022	0.2596	0.3334	-0.1394	0.1449	0.8077	-0.2055	-0.0335	0.7301	-0.1486	0.6518	25.7032	-19.1965	-11.6889
50	3.4442	1.4358	2.2196	2.8507	0.3293	2.18	0.1847	-1.6274	0.5498	0.3044	-0.8937	0.3478	0.3053	-1.5921	0.4011	0.7551	-0.1884	0.0567	1.1861	-0.2516	0.6501	13.626	-14.809	-10.1174
51	1.6026	1.0147	1.7566	2.5833	2.0041	3.0241	0.5698	-0.9247	0.6728	1.8648	-0.9699	0.0427	-0.137	-0.7118	0.0653	0.7007	-0.0634	0.1387	0.8323	-0.2875	0.9732	18.928	-11.4818	-18.9654
52	2.904	-0.7014	-0.2328	1.1272	-0.4416	2.8459	0.3516	-0.6117	0.3656	1.2323	-0.1578	0.2688	-0.2833	-0.9026	-0.16	0.7355	0.0136	0.0948	0.8886	-0.1711	0.5204	22.5977	-10.2472	-5.9236
53	1.4603	0.4597	-0.8005	3.8865	0.7977	1.448	-0.0486	-0.0809	-1.0655	-1.0019	-1.0179	-1.0179	1.6064	-0.1572	0.8442	2.2512	-0.2109	0.5345	1.3331	0.2025	1.2158	-16.1696	-8.673	55.7895
54	4.3256	0.8357	1.7712	2.8985	0.6266	4.7725	-0.5358	-1.1378	-0.654	0.3472	0.8012	1.3012	-0.3285	-0.8041	0.3382	0.7997	0.0302	0.088	0.3975	0.2132	0.9954	-15.6231	-0.849	38.9355
55	1.8978	-0.8539	0.2162	1.2551	0.2041	0.6842	0.3448	0.6111	-0.6842	0.0311	0.0102	1.8397	0.0043	0.2693	-0.3634	1.2318	0.0359	0.0431	0.8107	0.2044	1.6219	-22.713	-10.9715	26.6768
56	0.0322	0.0653	0.0921	0.369	0.4803	0.6038	-0.5373	-0.4173	-0.2867	0.0455	-0.1118	1.3618	0.3923	-1.1025	0.1151	0.8963	-0.2598	0.4219	0.952	0.0592	1.3643	-27.4025	-2.7799	36.7582
57	0.0121	0.0222	0.0184	0.3175	0.6001	1.1535	0.7056	-0.3173	0.4174	0.6017	0.9523	1.6075	0.1437	-2.1066	-0.1624	1.9139	-0.8737	0.3467	1.2235	1.0456	2.4402	-27.9258	-21.1982	32.0444
58	4.3033	2.8493	0.9183	6.6001	2.0867	3.1013	0.1255	-0.0517	0.0072	1.2481	-0.2011	1.2808	0.6561	0.8847	0.3863	0.6784	-0.0029	0.0557	0.612	0.1728	0.7306	-9.4977	-1.5161	37.9038
59	0.2501	0.3541	-0.2037	1.802	-1.0513	2.0899	-0.2386	-0.116	-0.2846	1.3011	-0.0983	1.5671	0.6567	-0.2049	0.8855	1.5191	-0.0794	0.5352	0.7561	0.1658	1.3048	-16.253	-12.3264	45.7981
60	2.6482	-0.4864	0.7568	0.8963	0.8515	1.4466	0.2877	-1.4668	-0.122	0.4304	0.1457	0.3559	1.6026	-0.8286	-0.3479	1.7576	-0.1145	-0.0983	0.8569	0.4505	0.8724	-11.9775	-10.4216	42.9238
61	1.5734	0.1881	0.0536	0.0603	0.3501	1.0939	0.203	1.4012	-0.0884	0.6417	0.4584	0.1087	-0.0314	-0.7857	-0.1283	1.1385	-0.0662	0.0294	0.4793	0.0393	0.682	-15.805	-15.5963	34.7364
62	-0.0278	-0.007	-0.0024	0.0395	0.1448	0.4509	-0.1936	-0.2469	2.1778	0.4517	0.6467	1.5649	0.0983	0.2786	0.2022	1.8628	-0.7724	0.6614	2.2149	0.1339	2.4194	-33.4569	-22.0476	42.8935
63	1.5919	-0.573	-1.8174	2.8115	-0.1224	2.1715	-0.0033	-0.4678	-0.3271	1.121	0.2602	0.5907	0.0872	-0.5075	-0.2596	1.6546	-0.0644	0.3826	1.0394	0.2412	0.8511	-14.5185	-7.0976	48.7313
64	4.1041	1.0278	2.2131	0.9679	1.1861	1.4806	0.4562	-0.7421	0.6348	0.778	-0.7508	0.5219	0.3466	-2.1319	-0.1105	1.5279	-0.3772	0.3911	1.1182	0.0365	0.8679	-23.3283	-7.7273	44.8325
65	1.5676	1.3304	-0.575	3.2384	0.8122	0.8297	-0.0365	-0.4854	-0.515	0.2356	-1.149	1.2993	0.1284	-0.4061	1.1024	0.9792	-0.0928	0.1739	1.5295	0.0347	2.2635	57.4791	4.2221	20.4829
66	0.9914	-0.2574	-0.2599	0.5628	0.669	0.6072	0.7605	0.5198	-0.4311	-0.0437	-0.1743	0.6476	0.1882	-0.3312	-0.5307	1.0034	-0.275	-0.2192	0.8574	0.1677	1.9017	71.8812	-7.6546	20.2386
67	5.3398	0.9339	-0.8765	2.0913	-0.1299	5.2883	0.2349	-0.125	-0.2232	-0.588	-0.4931	0.5219	-0.083	0.4036	0.4586	0.7964	-0.0561	-0.1864	0.4779	0.024	1.0613	86.7786	0.4037	23.5882
68	2.0967	2.7164	1.6172	3.5963	1.5917	3.6822	0.1138	-0.9891	0.8663	0.4562	-0.7525	2.4684	-0.5552	-0.9239	-0.0022	0.8326	-0.2591	0.283	0.9581	0.3567	2.0416	73.4324	-2.9252	31.0134
69	4.1493	-2.0454	2.5239	5.1159	3.5167	7.4705	0.273	0.5467	1.4002	0.2208	-0.5528	-0.6817	0.4551	0.4671	0.303	0.5793	0.0782	0.0517	0.6653	0.3152	1.4802	84.1775	12.4532	27.0869
70	0.4077	1.2569	0.1463	7.476	3.5022	2.1933	1.3429	0.9323	-1.5422	0.1722	-0.1384	1.1553	1.7047	-1.0651	-0.5876	1.0624	-0.1305	-0.6016	0.7035	0.2396	1.4952	78.4625	-3.2915	17.639
71	0.042	0.0285	-0.057	0.1203	0.0696	0.1462	-0.9776	0.7785	1.7507	-0.1761	-0.5657	0.5997	0.266	-0.9085	0.5361	1.4231	-0.3388	-0.4779	1.5448	0.1285	2.1006	64.7889	-14.1095	9.7179
72	2.4567	1.6173	0.7696	6.1672	3.5783	4.7963	0.7742	0.6297	-0.2585	0.3362	0.2051	0.5491	0.872	-0.5324	-1.0435	0.7784	0.0758	-0.1934	0.8263	0.0311	1.5614	67.7328	5.2556	18.5612
73	0.295	0.1271	0.5296	1.3765	-1.0481	2.0087	0.3385	0.1007	-0.7013	-0.1589	0.0218	0.2133	0.6806	-1.0625	-0.2182	0.768	-0.0722	-0.3487	1.1587	0.0663	1.6001	69.4522	1.8962	14.6382
74	1.2097	-0.1341	-0.8421	6.2868	0.5418	1.8436	-0.3634	-0.2746	-0.5726	-0.2561	1.5334	0.5208	0.4879	-0.459	-0.8409	0.8742	-0.0255	-0.3585	0.7319	0.1075	1.5965	79.0266	5.3292	16.4442
75	2.2713	-1.3375	0.0003	0.7521	-0.1635	4.451	-0.0746	0.0824	-0.1557	-0.2143	0.3898	0.5242	-1.3365	0.7731	-0.3945	0.7279	0.0173	0.1857	0.8764	0.2056	1.1877	74.749	17.5246	32.3622
76	0.3606	0.3313	-0.6573	0.3013	-0.6531	1.4213	-0.1698	0.5354	-1.3847	-0.46	-0.3651	1.2262	0.4965	-1.9321	0.2243	0.6288	0.0236	0.0558	1.554	0.2362	3.0083	63.6042	0.7038	18.4941
77	1.2981	1.4346	1.0281	1.5666	1.415	5.0383	0.0828	0.2137	-0.7677	0.3574	-0.4046	1.7468	-0.2768	-1.79	0.2063	0.6029	-0.035	0.0971	1.0287	0.1721	2.0945	68.9194	2.5572	26.9848

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 6 through 16 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 17 through 50 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 51 through 86 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 87 through 135 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 136 through 152 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 153 through 179 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 7 through 17 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 18 through 135 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 136 through 183 )
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 3 through 23 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 24 through 58 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 59 through 74 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 75 through 119 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 120 through 175 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 176 through 185 )
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 5 through 23 )
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 24 through 58 )
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 59 through 86 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 87 through 181 )
20	X-RAY DIFFRACTION	20	chain 'E' and (resid 5 through 16 )
21	X-RAY DIFFRACTION	21	chain 'E' and (resid 17 through 74 )
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 75 through 178 )
23	X-RAY DIFFRACTION	23	chain 'F' and (resid 3 through 11 )
24	X-RAY DIFFRACTION	24	chain 'F' and (resid 12 through 23 )
25	X-RAY DIFFRACTION	25	chain 'F' and (resid 24 through 37 )
26	X-RAY DIFFRACTION	26	chain 'F' and (resid 38 through 58 )
27	X-RAY DIFFRACTION	27	chain 'F' and (resid 59 through 74 )
28	X-RAY DIFFRACTION	28	chain 'F' and (resid 75 through 86 )
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 87 through 96 )
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 97 through 119 )
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 120 through 135 )
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 136 through 153 )
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 154 through 182 )
34	X-RAY DIFFRACTION	34	chain 'G' and (resid 66 through 116 )
35	X-RAY DIFFRACTION	35	chain 'G' and (resid 117 through 167 )
36	X-RAY DIFFRACTION	36	chain 'G' and (resid 168 through 237 )
37	X-RAY DIFFRACTION	37	chain 'H' and (resid 67 through 78 )
38	X-RAY DIFFRACTION	38	chain 'H' and (resid 79 through 124 )
39	X-RAY DIFFRACTION	39	chain 'H' and (resid 132 through 150 )
40	X-RAY DIFFRACTION	40	chain 'H' and (resid 151 through 167 )
41	X-RAY DIFFRACTION	41	chain 'H' and (resid 168 through 200 )
42	X-RAY DIFFRACTION	42	chain 'H' and (resid 201 through 213 )
43	X-RAY DIFFRACTION	43	chain 'H' and (resid 214 through 237 )
44	X-RAY DIFFRACTION	44	chain 'I' and (resid 66 through 106 )
45	X-RAY DIFFRACTION	45	chain 'I' and (resid 107 through 141 )
46	X-RAY DIFFRACTION	46	chain 'I' and (resid 142 through 167 )
47	X-RAY DIFFRACTION	47	chain 'I' and (resid 168 through 237 )
48	X-RAY DIFFRACTION	48	chain 'J' and (resid 66 through 106 )
49	X-RAY DIFFRACTION	49	chain 'J' and (resid 107 through 158 )
50	X-RAY DIFFRACTION	50	chain 'J' and (resid 159 through 186 )
51	X-RAY DIFFRACTION	51	chain 'J' and (resid 187 through 200 )
52	X-RAY DIFFRACTION	52	chain 'J' and (resid 201 through 237 )
53	X-RAY DIFFRACTION	53	chain 'K' and (resid 66 through 78 )
54	X-RAY DIFFRACTION	54	chain 'K' and (resid 79 through 95 )
55	X-RAY DIFFRACTION	55	chain 'K' and (resid 96 through 106 )
56	X-RAY DIFFRACTION	56	chain 'K' and (resid 107 through 118 )
57	X-RAY DIFFRACTION	57	chain 'K' and (resid 134 through 141 )
58	X-RAY DIFFRACTION	58	chain 'K' and (resid 142 through 158 )
59	X-RAY DIFFRACTION	59	chain 'K' and (resid 159 through 167 )
60	X-RAY DIFFRACTION	60	chain 'K' and (resid 168 through 186 )
61	X-RAY DIFFRACTION	61	chain 'K' and (resid 187 through 200 )
62	X-RAY DIFFRACTION	62	chain 'K' and (resid 201 through 213 )
63	X-RAY DIFFRACTION	63	chain 'K' and (resid 214 through 225 )
64	X-RAY DIFFRACTION	64	chain 'K' and (resid 226 through 237 )
65	X-RAY DIFFRACTION	65	chain 'L' and (resid 66 through 78 )
66	X-RAY DIFFRACTION	66	chain 'L' and (resid 79 through 95 )
67	X-RAY DIFFRACTION	67	chain 'L' and (resid 96 through 106 )
68	X-RAY DIFFRACTION	68	chain 'L' and (resid 107 through 116 )
69	X-RAY DIFFRACTION	69	chain 'L' and (resid 135 through 141 )
70	X-RAY DIFFRACTION	70	chain 'L' and (resid 142 through 150 )
71	X-RAY DIFFRACTION	71	chain 'L' and (resid 151 through 158 )
72	X-RAY DIFFRACTION	72	chain 'L' and (resid 159 through 167 )
73	X-RAY DIFFRACTION	73	chain 'L' and (resid 168 through 186 )
74	X-RAY DIFFRACTION	74	chain 'L' and (resid 187 through 200 )
75	X-RAY DIFFRACTION	75	chain 'L' and (resid 201 through 213 )
76	X-RAY DIFFRACTION	76	chain 'L' and (resid 214 through 225 )
77	X-RAY DIFFRACTION	77	chain 'L' and (resid 226 through 237 )

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