PDB-4b1z: Structure of the Phactr1 RPEL domain bound to G-actin

ID or keywords:

Entry

Database: PDB / ID: 4b1z

Title

Structure of the Phactr1 RPEL domain bound to G-actin

Components

ACTIN, ALPHA SKELETAL MUSCLE
PHOSPHATASE AND ACTIN REGULATOR 1

Keywords

STRUCTURAL PROTEIN / NUCLEOTIDE-BINDING / TRANSCRIPTION REGULATION / TRANSCRIPTION / MUSCLE PROTEIN / ATP-BINDING / CYTOSKELETON

Function / homology

Function and homology information

dendrite arborization / regulation of neuron migration / protein phosphatase 1 binding / regulation of phosphorylation / actomyosin structure organization / protein phosphatase inhibitor activity / cytoskeletal motor activator activity / tropomyosin binding / stress fiber assembly / mesenchyme migration ...
Similarity search - Function

Biological species

MUS MUSCULUS (house mouse)

ORYCTOLAGUS CUNICULUS (rabbit)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.3 Å

Authors

Mouilleron, S. / Wiezlak, M. / O'Reilly, N. / Treisman, R. / McDonald, N.Q.

Citation

Journal: Structure / Year: 2012
Title: Structures of the Phactr1 RPEL domain and RPEL motif complexes with G-actin reveal the molecular basis for actin binding cooperativity.
Authors: Mouilleron, S. / Wiezlak, M. / O'Reilly, N. / Treisman, R. / McDonald, N.Q.

History

Deposition	Jul 12, 2012	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 7, 2012	Provider: repository / Type: Initial release
Revision 1.1	Nov 21, 2012	Group: Database references
Revision 1.2	Feb 28, 2018	Group: Database references / Category: citation / citation_author Item: _citation.journal_id_ISSN / _citation.page_last ..._citation.journal_id_ISSN / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.title / _citation_author.name
Revision 1.3	May 8, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / 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_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	4b1z.cif.gz	900.4 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	4b1z_validation.pdf.gz	1.8 MB	Display	wwPDB validaton report
Full document	4b1z_full_validation.pdf.gz	1.8 MB	Display
Data in XML	4b1z_validation.xml.gz	47 KB	Display
Data in CIF	4b1z_validation.cif.gz	64.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/b1/4b1z ftp://data.pdbj.org/pub/pdb/validation_reports/b1/4b1z	HTTPS FTP

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Related structure data

Related structure data	4b1uC 4b1vC 4b1wC 4b1xC 4b1yC 1alm 1atn 1eqy 1esv 1h1v 1ijj 1j6z 1kxp 1lcu 1lot 1m8q 1ma9 1mvw 1nwk 1o18 1o19 1o1a 1o1b 1o1c 1o1d 1o1e 1o1f 1o1g 1p8z 1qz5 1qz6 1rdw 1rfq 1rgi 1s22 1sqk 1t44 1uy5 1wua 1y64 2a3z 2a40 2a41 2a42 2a5x 2asm 2aso 2asp 2d1k 2ff3 2ff6 2fxu 2v51 2v52 2vcp 2vyp 2w49 2w4u 2y83 2yje 2yjf 4a7f 4a7h 4a7l 4a7n C: citing same article (ref.)
Similar structure data	5b7b-d 3hzr-d 12174 7456 2j6x-d 21363 7ag4-d 6ouu-d Search similar-shape structures by Omokage search (details) 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	#19 - Jul 2001 Actin similarity (9) #18 - Jun 2001 Myosin similarity (9) #241 - Jan 2020 Twenty Years of Molecules similarity (3)

Deposited unit

A: ACTIN, ALPHA SKELETAL MUSCLE

B: ACTIN, ALPHA SKELETAL MUSCLE

C: ACTIN, ALPHA SKELETAL MUSCLE

D: ACTIN, ALPHA SKELETAL MUSCLE

E: ACTIN, ALPHA SKELETAL MUSCLE

F: ACTIN, ALPHA SKELETAL MUSCLE

M: PHOSPHATASE AND ACTIN REGULATOR 1

N: PHOSPHATASE AND ACTIN REGULATOR 1

hetero molecules

284 kDa, 8 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)	127.060, 142.890, 184.380
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, 8 molecules ABCDEFMN

#1: Protein	ACTIN, ALPHA SKELETAL MUSCLE / ALPHA SKELETAL MUSCLE ACTIN / ALPHA-ACTIN-1 Mass: 41965.754 Da / Num. of mol.: 6 / Source method: isolated from a natural source / Source: (natural) ORYCTOLAGUS CUNICULUS (rabbit) / Tissue: MUSCLE / References: UniProt: P68135
#2: Protein	PHOSPHATASE AND ACTIN REGULATOR 1 / PHOSPHATASE AND ACTIN REGULATOR 1\ / ISOFORM CRA_C Mass: 14021.170 Da / Num. of mol.: 2 / Fragment: RESIDUES 483-597 Source method: isolated from a genetically manipulated source Source: (gene. exp.) MUS MUSCULUS (house mouse) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / Variant (production host): ROSETTA PLYSS / References: UniProt: G5E8P7, UniProt: Q2M3X8*PLUS

#1: Protein

ACTIN, ALPHA SKELETAL MUSCLE / ALPHA SKELETAL MUSCLE ACTIN / ALPHA-ACTIN-1

Mass: 41965.754 Da / Num. of mol.: 6 / Source method: isolated from a natural source / Source: (natural)

ORYCTOLAGUS CUNICULUS (rabbit) / Tissue: MUSCLE / References: UniProt: P68135

#2: Protein

PHOSPHATASE AND ACTIN REGULATOR 1 / PHOSPHATASE AND ACTIN REGULATOR 1\ / ISOFORM CRA_C

Mass: 14021.170 Da / Num. of mol.: 2 / Fragment: RESIDUES 483-597
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

MUS MUSCULUS (house mouse) / Production host:

ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / Variant (production host): ROSETTA PLYSS / References: UniProt: G5E8P7, UniProt: Q2M3X8*PLUS

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Non-polymers , 4 types, 21 molecules

#3: Chemical	ChemComp-ATP / ADENOSINE-5'-TRIPHOSPHATE Mass: 507.181 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₁₀H₁₆N₅O₁₃P₃ / Comment: ATP, energy-carrying molecule*YM
#4: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mg
#5: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₃H₈O₃
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 3.34 Å³/Da / Density % sol: 62.88 % / Description: NONE

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Type: DIAMOND / Wavelength: 0.9763
Detector	Type: ADSC CCD / Detector: CCD
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9763 Å / Relative weight: 1
Reflection	Resolution: 3.3→40 Å / Num. obs: 51065 / % possible obs: 99.6 % / Observed criterion σ(I): 1.3 / Redundancy: 5.6 % / R_merge(I) obs: 0.14 / Net I/σ(I): 4.6
Reflection shell	Resolution: 3.3→3.48 Å / Redundancy: 5.7 % / R_merge(I) obs: 0.59 / Mean I/σ(I) obs: 4.6 / % possible all: 100

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Processing

Software

Name: PHENIX / Version: (PHENIX.REFINE: 1.8.1_1168) / Classification: refinement

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 3.3→74.618 Å / SU ML: 0.38 / σ(F): 1.34 / Phase error: 24.28 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.236	2580	5.1 %
R_work	0.2133	-	-
obs	0.2145	50897	99.4 %

Solvent computation

Shrinkage radii: 0.8 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 3.3→74.618 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	17700	0	240	1	17941

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	18308
X-RAY DIFFRACTION	f_angle_d	0.904	24955
X-RAY DIFFRACTION	f_dihedral_angle_d	13.161	6561
X-RAY DIFFRACTION	f_chiral_restr	0.057	2850
X-RAY DIFFRACTION	f_plane_restr	0.004	3203

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 (%)
3.3-3.3635	0.2961	139	0.2966	2682	X-RAY DIFFRACTION	100
3.3635-3.4321	0.3223	147	0.2964	2663	X-RAY DIFFRACTION	100
3.4321-3.5068	0.2862	152	0.2779	2625	X-RAY DIFFRACTION	100
3.5068-3.5883	0.2838	135	0.2565	2673	X-RAY DIFFRACTION	100
3.5883-3.6781	0.2792	134	0.2536	2687	X-RAY DIFFRACTION	100
3.6781-3.7775	0.2756	148	0.2412	2649	X-RAY DIFFRACTION	100
3.7775-3.8887	0.2723	135	0.2271	2665	X-RAY DIFFRACTION	100
3.8887-4.0142	0.2451	139	0.2209	2655	X-RAY DIFFRACTION	100
4.0142-4.1576	0.2341	144	0.2138	2689	X-RAY DIFFRACTION	100
4.1576-4.3241	0.226	152	0.1949	2660	X-RAY DIFFRACTION	100
4.3241-4.5209	0.1881	126	0.1841	2671	X-RAY DIFFRACTION	100
4.5209-4.7592	0.205	137	0.181	2702	X-RAY DIFFRACTION	99
4.7592-5.0573	0.2335	142	0.1989	2681	X-RAY DIFFRACTION	100
5.0573-5.4476	0.261	146	0.2129	2674	X-RAY DIFFRACTION	99
5.4476-5.9957	0.265	157	0.2114	2687	X-RAY DIFFRACTION	99
5.9957-6.8627	0.2639	153	0.2218	2708	X-RAY DIFFRACTION	99
6.8627-8.6442	0.1748	145	0.1804	2721	X-RAY DIFFRACTION	98
8.6442-74.6371	0.1884	149	0.1877	2825	X-RAY DIFFRACTION	98

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	0.1616	0.0673	0.0793	0.4538	-0.1111	0.0585	-0.5613	0.0904	0.255	-0.3393	-0.2239	0.6081	0.1827	-0.3139	-0.0001	0.8394	0.2065	-0.063	0.9746	0.0429	0.8057	-40.2836	-3.2186	-11.9901
2	0.2025	-0.0828	0.1559	0.0442	-0.0282	0.0769	-0.2562	-0.878	1.0459	0.7964	1.1629	0.7372	-0.6883	-0.9805	-0.0001	0.9053	0.3592	0.19	1.3984	0.1749	1.167	-52.4264	6.8194	-3.2194
3	0.398	-0.4227	0.1543	0.3063	-0.1765	0.2007	-0.0009	-0.2412	-0.1793	0.2571	0.1425	0.9663	-1.1042	-1.129	-0.0003	0.7919	0.1009	0.0056	1.5658	0.076	0.8744	-50.6515	-2.9155	-3.7436
4	0.6768	-0.6397	0.045	0.7627	0.5739	0.4395	0.1458	0.1771	-0.4292	-0.1218	-0.0666	0.4121	0.2539	-0.8212	0	0.7007	-0.0032	-0.0339	0.9321	0.0817	0.9318	-39.3916	-12.1208	-4.2432
5	0.7416	0.0432	0.3333	0.385	-0.3375	0.3153	-0.3336	-0.2084	0.0209	1.0905	0.4476	0.3142	0.1041	-0.0624	0.0001	0.8377	0.0798	0.1647	0.7498	0.0829	0.9145	-32.2696	-0.5648	8.5707
6	0.3196	-0.2384	-0.0236	0.3023	-0.1392	0.1846	0.1468	0.1985	0.4609	0.3357	0.1354	0.158	-0.8774	-0.2194	-0.0002	0.916	0.2347	0.1337	0.9303	0.1297	0.8966	-37.5111	18.0629	4.9876
7	0.4881	0.0354	-0.6416	0.1528	0.0987	0.9162	-0.2414	-0.0788	0.7399	0.2569	0.363	-0.569	-0.8613	0.0566	0	1.0949	0.0145	0.0585	0.8049	0.0339	1.1027	-24.5169	18.8701	7.4686
8	0.5154	-0.213	0.4307	0.4659	0.3542	0.8149	0.018	-0.2678	0.0817	0.3482	0.2883	-0.4848	0.0057	-0.0505	0	0.7418	0.0626	0.0038	0.7116	0.0951	0.8214	-21.1368	-4.1099	7.8857
9	0.7234	-0.0997	-0.6874	1.0075	0.6187	1.2529	0.1114	0.1472	-0.6231	-0.3973	-0.1754	0.1158	-0.091	-0.4069	-0	0.7183	0.1173	-0.1054	0.8645	-0.0113	0.9018	-28.5842	-9.6618	-8.5482
10	0.059	-0.1134	-0.0291	0.1575	0.0818	0.0114	-0.2512	-0.5294	-1.0652	-0.4371	-0.15	0.3916	1.1565	-0.5833	0.0001	1.0476	-0.1038	-0.0329	1.0955	-0.0717	1.5227	-46.0539	-24.6691	-6.5765
11	0.5758	0.3362	0.3492	1.1249	0.0076	0.1816	-0.1352	-0.0059	0.6726	0.0064	0.1394	-0.0729	-0.7953	0.536	0.0001	1.0484	-0.188	-0.0541	0.9468	0.0671	0.8906	2.3529	-18.2752	11.2712
12	1.4717	0.1937	0.1858	1.1482	-0.6477	3.2947	-0.1083	0.057	-0.0621	0.1254	0.0474	-0.1365	-0.0913	0.4146	-0.0002	0.6608	0.0342	-0.0253	0.6823	0.0425	0.807	-6.087	-35.5025	9.2795
13	0.6242	-0.3477	0.7866	0.6986	-0.0104	1.0016	0.058	-1.0242	0.1889	0.2419	-0.0572	-0.6364	-0.133	0.4513	-0.0088	0.7857	-0.1242	-0.0814	0.9753	-0.0326	0.9371	28.9313	-3.0704	-12.2396
14	0.7419	0.4389	-0.4383	0.767	0.3715	1.0694	-0.0735	0.1395	-0.0141	0.0301	-0.0143	-0.633	-0.0962	0.7823	0.0001	0.8022	-0.0435	-0.0322	0.9662	0.0617	1.0438	27.8345	-11.1197	-19.3324
15	1.9066	1.2068	-0.4298	2.8495	0.6824	-0.0063	0.0837	0.1	0.1358	-0.4433	-0.1996	-0.4108	-0.3822	0.2392	-0	1.1239	-0.1933	-0.1883	0.8536	0.1051	0.8296	16.1718	12.2359	-25.9282
16	0.8923	0.6077	-0.0185	0.7386	-0.3333	1.9201	-0.0596	0.0316	-0.2556	-0.4462	-0.0032	-0.1082	-0.0546	0.1555	0	0.761	-0.1293	-0.1515	0.8029	-0.0433	0.8307	12.252	-5.7389	-22.8916
17	0.1222	-0.0582	0.2114	0.4612	-0.0565	0.3154	-0.551	-0.2664	0.9883	0.7669	-0.2816	-0.5153	-0.9331	0.4977	0	1.1008	-0.1445	-0.3381	0.9138	-0.0664	0.9425	-3.126	0.1084	-53.0538
18	0.6168	-0.5686	0.0309	0.5273	0.1979	0.3781	-0.221	-0.8182	0.827	0.1261	-0.2822	0.3685	-1.6338	-0.9377	0.0001	1.5504	0.372	-0.3333	1.0794	-0.2195	1.0521	-15.4306	5.9036	-47.5617
19	1.7728	-0.1178	1.0642	1.179	-0.8351	5.6346	0.0592	0.0174	-0.0933	0.007	-0.0201	0.1424	-0.0103	-0.2368	-0	0.7013	0.0956	-0.1101	0.6711	-0.0725	0.749	-11.9172	-17.1037	-49.4455
20	0.7044	-0.1699	0.1662	1.0602	0.3843	0.7211	-0.1107	0.4491	0.2504	-0.7259	-0.0992	-0.4928	-0.7263	0.3661	-0.0197	1.2022	0.0225	-0.1391	0.932	0.0109	0.9122	-4.8078	-1.3754	-65.4598
21	1.2995	-0.6095	-0.0022	1.6434	-1.1883	1.0395	-0.2507	0.7602	0.6854	-0.2383	-0.6179	-1.6567	-0.4254	0.7426	0	1.0161	-0.1701	0.0566	1.063	0.3517	1.5321	-18.7121	35.1934	-28.3711
22	1.8911	-1.099	1.4965	2.9538	-1.2579	3.5118	-0.174	0.171	0.0581	-0.0885	-0.0405	-0.3237	-0.1638	0.1997	0	0.8094	0.0348	0.0793	0.6589	-0.012	0.7153	-38.4638	27.3221	-29.6784
23	0.0701	-0.0735	0.0481	0.0297	-0.041	-0.0014	0.4401	-0.1512	0.254	0.0943	-0.4598	0.1056	0.0297	0.9289	-0	1.4537	-0.5856	0.0268	1.031	-0.2012	0.9541	10.0744	28.5662	19.1121
24	0.0486	-0.0595	-0.0462	0.1403	0.1623	0.1144	-0.3146	-0.3657	0.0244	0.8882	0.6349	0.8347	-0.2898	-0.6553	-0.0003	1.5491	-0.2107	0.0647	1.3052	-0.0027	1.0393	4.3738	22.066	35.2473
25	1.0314	0.1797	0.0214	0.3063	0.2608	0.2043	-0.1947	-0.3022	-0.0017	0.3993	0.3626	0.6771	-0.4407	-0.268	-0	1.1983	-0.1447	0.0423	0.9762	-0.2291	1.0826	-0.5262	22.7924	20.4654
26	1.7128	-0.4976	-0.2744	1.0247	0.6151	1.0039	0.2862	-0.5859	0.0863	0.1144	0.0171	0.059	-0.2718	0.5712	0.015	0.9169	-0.3175	-0.1122	1.1923	-0.178	0.9735	13.0192	14.0776	14.4844
27	0.3348	0.5098	-0.1478	0.5821	-0.3227	0.3117	0.3235	-0.5281	-0.8051	0.8666	-0.3306	0.0063	-0.0356	-0.0215	0	1.092	-0.1638	-0.2136	1.6826	-0.0436	1.0367	28.1808	8.5328	31.8843
28	0.3828	0.1498	-0.0028	0.2019	-0.1505	0.1897	0.3025	-1.4631	-0.1951	0.8237	0.5204	-0.8243	0.5387	-0.5888	-0.0001	1.1086	-0.2045	-0.1359	2.1797	-0.2369	1.0427	31.3473	9.5115	34.129
29	0.9609	-0.6796	0.1965	1.184	0.5477	0.5241	0.351	-0.4352	-0.241	0.1256	0.0627	-0.1775	-0.0368	0.7319	0.0047	0.8077	-0.24	-0.0685	1.4974	-0.282	1.025	24.277	6.7917	9.7569
30	0.2697	0.1331	-0.1161	0.5564	0.2091	0.1133	-0.2817	0.1468	0.7842	-0.2138	0.0242	-0.0718	-0.5558	0.3775	0.0002	1.1853	-0.3568	-0.0254	1.2292	-0.2218	1.041	10.919	28.6031	9.7005
31	0.0265	-0.0384	-0.0118	0.047	0.008	0.0828	0.3967	0.4439	-0.2672	0.3439	-0.1458	0.8284	-0.3611	0.9984	0	1.1931	-0.2043	-0.0206	1.1913	-0.2102	1.3114	-6.0736	23.8481	4.3337
32	0.1462	0.13	-0.0497	0.1226	-0.0898	0.3436	-0.3428	0.2248	0.2955	1.773	0.1048	-1.4738	-0.6253	0.3776	-0.0004	1.0445	0.0477	-0.0068	0.919	0.0213	0.9282	-23.3164	21.7637	-7.4774
33	0.0187	0.0417	-0.0291	0.072	-0.0093	0.0363	0.0531	-0.44	0.0208	-0.3115	-0.0489	-0.0338	0.9061	0.5468	0.0001	0.9945	0.0352	-0.0486	0.8151	0.0534	0.7864	-23.6218	7.6653	-14.9341
34	0.2507	0.0923	0.0027	0.1692	0.2462	0.3511	-0.8329	0.6092	-0.0872	-0.5021	0.2679	-1.1314	-0.4855	-0.7701	0.0004	0.893	0.0622	-0.0101	0.9821	0.0333	1.0156	-24.0985	-10.1497	-18.7967
35	0.3839	-0.339	0.2928	0.5538	-0.1501	0.2083	-0.4604	-0.1304	-0.8945	-0.0738	-0.4591	-0.0313	0.2891	-0.1936	0.0001	0.7907	0.0044	-0.0809	0.9026	0.0808	1.0326	-26.1677	-27.5937	2.3741
36	-0.0036	-0.0358	-0.0173	0.2425	0.1536	0.0858	0.3685	0.1291	-0.677	-1	0.4535	0.9012	0.6122	-1.1662	-0.0008	0.9064	-0.0398	0.0412	1.0069	0.1046	0.9559	-23.0927	-33.705	25.6196
37	0.0685	0.0709	0.0206	0.0914	0.0525	0.0326	-0.3484	-0.4655	-0.871	0.5244	0.1211	-0.0263	0.2614	0.4758	-0	1.0177	0.1065	-0.0685	1.1771	0.3291	0.9262	-6.906	-51.1011	31.8813
38	0.0274	-0.0031	-0.0126	-0.0064	0.0039	0.0006	0.2684	-0.5509	0.3555	1.3756	0.569	-1.2309	-0.6455	0.5808	-0.0016	1.2174	0.1589	-0.0295	1.3267	-0.0225	1.3106	0.6277	-50.3568	27.7308
39	0.001	0.0081	-0.0016	0.0133	0.0009	-0.0012	0.2575	0.0203	-0.0829	-0.0732	0.6356	0.6081	0.0477	-0.0847	-0.0008	1.5485	0.0557	-0.0541	1.2311	-0.1977	0.9504	16.55	28.1327	-1.8899
40	1.728	0.0116	0.781	-0.0026	0.0458	0.4345	0.2595	-0.3728	0.0362	-0.1802	-0.1042	0.0026	-0.998	0.9612	-0.1274	1.1063	-0.0973	-0.0794	0.9909	-0.2187	1.1793	7.6384	16.4678	-8.3983
41	0.0401	-0.0273	-0.0478	0.0297	0.0045	0.0378	-0.1972	0.1661	-0.3689	0.0592	-0.3547	0.279	0.7713	-0.4152	-0.0001	1.1134	-0.1166	-0.1403	1.3482	-0.1904	0.719	7.078	6.4288	-6.6472
42	0.9073	0.1283	-0.1114	0.4839	-0.4874	0.4681	-0.5138	0.4463	0.4884	0.4694	-0.8541	1.2729	-0.0939	0.7657	-0.0658	0.7578	-0.059	-0.1266	1.036	-0.0881	0.919	2.1636	-10.7072	-13.1283
43	0.0157	-0.0159	0.0115	0.0203	0.0013	0.0195	0.1897	-0.1063	0.1543	0.3426	0.4318	-0.7364	0.1081	-0.0213	0.0005	1.0173	0.0933	-0.1382	0.6584	0.0044	0.9119	4.6325	-19.1451	-30.4902
44	0.0481	0.049	0.0173	0.1122	-0.0479	0.0489	-0.2581	0.1474	-0.2244	0.1521	0.0848	0.1655	0.2416	-0.3048	0	1.277	-0.0096	0.0102	1.1683	-0.1652	0.7858	4.1826	-18.4015	-39.2889
45	0.0241	0.0227	-0.012	0.0127	-0.0119	0.0088	-0.6488	0.5637	-0.4847	-0.4476	-0.0018	-0.1639	-0.1299	0.4299	0.0011	1.2278	0.1967	-0.0621	1.141	0.0211	0.8613	10.7761	-12.6399	-44.4122
46	0.0664	-0.1309	0.0121	0.5124	-0.2657	0.1621	-1.0433	0.4324	0.4388	0.3161	-0.6139	-1.4299	-0.1085	0.9395	0.1172	0.9497	-0.2039	-0.0364	1.399	0.1031	1.145	10.7864	-10.8766	-61.0946
47	-0.0025	-0.0094	0.0119	0.0048	-0.0118	0.0223	-0.0117	0.2104	0.1188	0.1205	0.3378	-1.2626	-0.129	0.2694	0.0003	0.8553	0.2432	-0.0784	1.5119	-0.1861	0.875	-1.8486	-12.25	-75.2908
48	0.0266	0.048	-0.0081	0.0605	-0.0013	0.0279	0.0227	1.0646	0.3881	-0.2235	0.1154	0.1462	0.7066	0.0425	0.0005	0.8948	0.3663	-0.0488	1.4982	-0.2259	0.7069	-10.6118	-18.0982	-80.3006
49	0.0524	-0.015	0.001	0.0395	0.0233	0.0789	0.3962	0.0143	-0.172	-0.2168	-0.3766	0.3345	-0.6111	0.4862	0.0001	0.9743	0.2892	-0.1211	0.9929	-0.0094	0.8147	-16.7118	-14.0211	-75.4448

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN B AND (RESSEQ 5:28)
2	X-RAY DIFFRACTION	2	CHAIN B AND (RESSEQ 29:64)
3	X-RAY DIFFRACTION	3	CHAIN B AND (RESSEQ 65:97)
4	X-RAY DIFFRACTION	4	CHAIN B AND (RESSEQ 98:165)
5	X-RAY DIFFRACTION	5	CHAIN B AND (RESSEQ 166:195)
6	X-RAY DIFFRACTION	6	CHAIN B AND (RESSEQ 196:216)
7	X-RAY DIFFRACTION	7	CHAIN B AND (RESSEQ 217:261)
8	X-RAY DIFFRACTION	8	CHAIN B AND (RESSEQ 262:320)
9	X-RAY DIFFRACTION	9	CHAIN B AND (RESSEQ 321:358)
10	X-RAY DIFFRACTION	10	CHAIN B AND (RESSEQ 359:375)
11	X-RAY DIFFRACTION	11	CHAIN C AND (RESSEQ 5:59)
12	X-RAY DIFFRACTION	12	CHAIN C AND (RESSEQ 60:375)
13	X-RAY DIFFRACTION	13	CHAIN E AND (RESSEQ 5:64)
14	X-RAY DIFFRACTION	14	CHAIN E AND (RESSEQ 65:144)
15	X-RAY DIFFRACTION	15	CHAIN E AND (RESSEQ 145:300)
16	X-RAY DIFFRACTION	16	CHAIN E AND (RESSEQ 301:375)
17	X-RAY DIFFRACTION	17	CHAIN F AND (RESSEQ 5:28)
18	X-RAY DIFFRACTION	18	CHAIN F AND (RESSEQ 29:97)
19	X-RAY DIFFRACTION	19	CHAIN F AND (RESSEQ 98:332)
20	X-RAY DIFFRACTION	20	CHAIN F AND (RESSEQ 333:375)
21	X-RAY DIFFRACTION	21	CHAIN A AND (RESSEQ 5:145)
22	X-RAY DIFFRACTION	22	CHAIN A AND (RESSEQ 146:375)
23	X-RAY DIFFRACTION	23	CHAIN D AND (RESSEQ 5:28)
24	X-RAY DIFFRACTION	24	CHAIN D AND (RESSEQ 29:64)
25	X-RAY DIFFRACTION	25	CHAIN D AND (RESSEQ 65:125)
26	X-RAY DIFFRACTION	26	CHAIN D AND (RESSEQ 126:195)
27	X-RAY DIFFRACTION	27	CHAIN D AND (RESSEQ 196:232)
28	X-RAY DIFFRACTION	28	CHAIN D AND (RESSEQ 233:261)
29	X-RAY DIFFRACTION	29	CHAIN D AND (RESSEQ 262:332)
30	X-RAY DIFFRACTION	30	CHAIN D AND (RESSEQ 333:358)
31	X-RAY DIFFRACTION	31	CHAIN D AND (RESSEQ 359:375)
32	X-RAY DIFFRACTION	32	CHAIN M AND (RESSEQ 422:439)
33	X-RAY DIFFRACTION	33	CHAIN M AND (RESSEQ 440:447)
34	X-RAY DIFFRACTION	34	CHAIN M AND (RESSEQ 448:467)
35	X-RAY DIFFRACTION	35	CHAIN M AND (RESSEQ 468:485)
36	X-RAY DIFFRACTION	36	CHAIN M AND (RESSEQ 486:505)
37	X-RAY DIFFRACTION	37	CHAIN M AND (RESSEQ 506:516)
38	X-RAY DIFFRACTION	38	CHAIN M AND (RESSEQ 517:528)
39	X-RAY DIFFRACTION	39	CHAIN N AND (RESSEQ 422:429)
40	X-RAY DIFFRACTION	40	CHAIN N AND (RESSEQ 430:439)
41	X-RAY DIFFRACTION	41	CHAIN N AND (RESSEQ 440:447)
42	X-RAY DIFFRACTION	42	CHAIN N AND (RESSEQ 448:467)
43	X-RAY DIFFRACTION	43	CHAIN N AND (RESSEQ 468:472)
44	X-RAY DIFFRACTION	44	CHAIN N AND (RESSEQ 473:478)
45	X-RAY DIFFRACTION	45	CHAIN N AND (RESSEQ 479:486)
46	X-RAY DIFFRACTION	46	CHAIN N AND (RESSEQ 487:503)
47	X-RAY DIFFRACTION	47	CHAIN N AND (RESSEQ 504:509)
48	X-RAY DIFFRACTION	48	CHAIN N AND (RESSEQ 510:516)
49	X-RAY DIFFRACTION	49	CHAIN N AND (RESSEQ 517:528)

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