PDB-6r16: Crystal structure of the SUN1-KASH4 6:6 complex

ID or keywords:

Entry

Database: PDB / ID: 6r16

Title

Crystal structure of the SUN1-KASH4 6:6 complex

Components

Nesprin-4
SUN domain-containing protein 1

Keywords

STRUCTURAL PROTEIN / SUN1 KASH4 NESPRIN-4 SYNE4 LINC complex Nucleoskeleton Cytoskeleton Nuclear envelope

Function / homology

Function and homology information

nuclear matrix anchoring at nuclear membrane / nucleokinesis involved in cell motility in cerebral cortex radial glia guided migration / cytoskeleton-nuclear membrane anchor activity / meiotic attachment of telomere to nuclear envelope / meiotic nuclear membrane microtubule tethering complex / homologous chromosome pairing at meiosis / lamin binding / establishment of epithelial cell apical/basal polarity / nuclear outer membrane / nuclear inner membrane ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.75 Å

Authors

Gurusaran, M. / Davies, O.R.

Funding support

United Kingdom, 2items

Citation

Journal: Elife / Year: 2021
Title: A molecular mechanism for LINC complex branching by structurally diverse SUN-KASH 6:6 assemblies.
Authors: Gurusaran, M. / Davies, O.R.

History

Deposition	Mar 13, 2019	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jul 15, 2020	Provider: repository / Type: Initial release
Revision 1.1	Feb 3, 2021	Group: Database references / Derived calculations / Category: citation / citation_author / struct_conn Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id
Revision 1.2	Jan 24, 2024	Group: 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 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3	Nov 20, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6r16.cif.gz	543.9 KB	Display	PDBx/mmCIF format
PDB format	pdb6r16.ent.gz	455.7 KB	Display	PDB format
PDBx/mmJSON format	6r16.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/r1/6r16 ftp://data.pdbj.org/pub/pdb/validation_reports/r1/6r16	HTTPS FTP

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Related structure data

Related structure data	6r15SC 6r2iC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5jwg-d 5jxf-2 6j1h-d 3gv5-d 6r15-1 3c66-d 5uk7-d 5tsg-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	#241 - Jan 2020 Twenty Years of Molecules similarity (1)

Deposited unit

A: SUN domain-containing protein 1

B: SUN domain-containing protein 1

C: SUN domain-containing protein 1

D: SUN domain-containing protein 1

E: SUN domain-containing protein 1

F: SUN domain-containing protein 1

G: Nesprin-4

H: Nesprin-4

I: Nesprin-4

J: Nesprin-4

K: Nesprin-4

L: Nesprin-4

hetero molecules

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

1

Idetical with deposited unit
defined by author&software
Evidence: SAXS, light scattering

Unit cell

Length a, b, c (Å)	104.370, 117.210, 138.420
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 / Protein/peptide , 2 types, 12 molecules ABCDEFGHIJKL

#1: Protein	SUN domain-containing protein 1 / Protein unc-84 homolog A / Sad1/unc-84 protein-like 1 Mass: 22530.379 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: SUN1, KIAA0810, UNC84A / Production host: Escherichia coli (E. coli) / References: UniProt: O94901
#2: Protein/peptide	Nesprin-4 / KASH domain-containing protein 4 / KASH4 / Nuclear envelope spectrin repeat protein 4 Mass: 3303.856 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: SYNE4, C19orf46 / Production host: Escherichia coli (E. coli) / References: UniProt: Q8N205

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Non-polymers , 4 types, 102 molecules

#3: Chemical	ChemComp-K / POTASSIUM ION Mass: 39.098 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: K
#4: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₂H₆O₂
#5: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Zn
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 90 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.73 Å³/Da / Density % sol: 54.96 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 0.06M MgCl2; 0.06M CaCl2; 0.1M Imidazole pH 6.5; 0.1M MES (acid) pH 6.5 + 18% Ethylene glycol; 18% PEG 8K

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9795 Å
Detector	Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Sep 30, 2018
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9795 Å / Relative weight: 1
Reflection	Resolution: 2.75→48.83 Å / Num. obs: 44728 / % possible obs: 99.7 % / Redundancy: 7.1 % / R_merge(I) obs: 0.095 / R_pim(I) all: 0.056 / R_rim(I) all: 0.111 / Net I/σ(I): 15.4
Reflection shell	Resolution: 2.75→2.85 Å / Redundancy: 5.6 % / R_merge(I) obs: 1.124 / Mean I/σ(I) obs: 1.4 / Num. unique obs: 4500 / R_pim(I) all: 0.741 / R_rim(I) all: 1.355 / % possible all: 97.5

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Processing

Software

Name	Version	Classification
PHENIX	(1.14_3260: ???)	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing
PHENIX		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 6R15

6r15

Resolution: 2.75→48.83 Å / SU ML: 0.41 / Cross valid method: FREE R-VALUE / σ(F): 1.92 / Phase error: 27.73

	R_factor	Num. reflection	% reflection
R_free	0.2549	4269	5.04 %
R_work	0.219	-	-
obs	0.2208	44658	99.34 %

Solvent computation

Shrinkage radii: 0.7 Å / VDW probe radii: 1.1 Å

Refinement step

Cycle: LAST / Resolution: 2.75→48.83 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10390	0	21	90	10501

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	10748
X-RAY DIFFRACTION	f_angle_d	0.445	14613
X-RAY DIFFRACTION	f_dihedral_angle_d	12.358	3927
X-RAY DIFFRACTION	f_chiral_restr	0.041	1574
X-RAY DIFFRACTION	f_plane_restr	0.003	1898

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 (%)
2.75-2.7813	0.3979	128	0.3593	2408	X-RAY DIFFRACTION	90
2.7813-2.814	0.3539	134	0.3348	2553	X-RAY DIFFRACTION	95
2.814-2.8483	0.3415	139	0.3281	2664	X-RAY DIFFRACTION	100
2.8483-2.8844	0.3076	175	0.3189	2701	X-RAY DIFFRACTION	100
2.8844-2.9223	0.3417	113	0.3176	2699	X-RAY DIFFRACTION	100
2.9223-2.9623	0.3867	150	0.35	2655	X-RAY DIFFRACTION	100
2.9623-3.0047	0.3433	155	0.3277	2729	X-RAY DIFFRACTION	100
3.0047-3.0495	0.3905	140	0.3156	2653	X-RAY DIFFRACTION	100
3.0495-3.0971	0.3147	140	0.3092	2743	X-RAY DIFFRACTION	100
3.0971-3.1479	0.3137	138	0.2856	2704	X-RAY DIFFRACTION	100
3.1479-3.2022	0.3004	154	0.2739	2670	X-RAY DIFFRACTION	100
3.2022-3.2604	0.2755	126	0.2616	2727	X-RAY DIFFRACTION	100
3.2604-3.3231	0.2857	159	0.2627	2671	X-RAY DIFFRACTION	100
3.3231-3.3909	0.2769	117	0.262	2720	X-RAY DIFFRACTION	100
3.3909-3.4646	0.3096	164	0.2485	2682	X-RAY DIFFRACTION	100
3.4646-3.5452	0.3175	131	0.2422	2718	X-RAY DIFFRACTION	100
3.5452-3.6338	0.2687	123	0.2391	2697	X-RAY DIFFRACTION	100
3.6338-3.732	0.2601	107	0.2343	2765	X-RAY DIFFRACTION	100
3.732-3.8418	0.255	185	0.2069	2636	X-RAY DIFFRACTION	100
3.8418-3.9658	0.2459	138	0.2082	2648	X-RAY DIFFRACTION	100
3.9658-4.1074	0.2347	128	0.1914	2743	X-RAY DIFFRACTION	100
4.1074-4.2718	0.2066	125	0.1826	2691	X-RAY DIFFRACTION	100
4.2718-4.4661	0.1942	161	0.1732	2708	X-RAY DIFFRACTION	100
4.4661-4.7014	0.1925	171	0.171	2675	X-RAY DIFFRACTION	100
4.7014-4.9957	0.1863	145	0.1585	2667	X-RAY DIFFRACTION	100
4.9957-5.3809	0.2083	173	0.1688	2675	X-RAY DIFFRACTION	100
5.3809-5.9216	0.2103	129	0.1865	2710	X-RAY DIFFRACTION	100
5.9216-6.7765	0.2739	168	0.1925	2682	X-RAY DIFFRACTION	100
6.7765-8.5303	0.2592	135	0.1924	2691	X-RAY DIFFRACTION	100
8.5303-48.8378	0.2447	118	0.2074	2701	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	1.6635	2.1676	-0.7772	7.0128	3.0611	3.9653	-0.0903	-0.3859	-0.3833	0.3242	0.0027	-0.2481	0.2961	0.1649	-0.0371	0.4415	0.108	-0.0464	0.3373	0.0291	0.6028	70.9345	31.8512	79.7612
2	0.8488	0.3001	-0.1622	7.0058	-1.3447	2.7009	0.1119	-0.1221	0.0916	0.0365	0.1639	-0.8834	-0.4263	0.6693	-0.2701	0.7431	-0.1291	0.0058	0.6948	-0.147	0.5906	86.1131	56.3475	75.5574
3	0.2314	0.6471	-0.6443	5.9929	1.0828	4.1727	-0.0708	-0.3512	-0.0484	-0.3203	0.129	-0.4365	-0.6526	0.2402	-0.0864	0.5038	-0.0481	0.0176	0.7244	0.009	0.5216	86.2225	43.7624	75.9254
4	2.5776	-0.0196	0.0928	1.6677	-0.5955	8.1477	0.0842	-0.2881	-0.5549	0.0341	0.0277	-0.3087	0.5816	1.134	-0.1374	0.3959	0.1702	-0.0281	0.5983	0.0039	0.6971	87.3796	34.1924	83.2628
5	5.389	-3.1369	-3.2653	3.8309	4.5807	7.3921	-0.1179	-1.2499	-0.0668	0.8545	0.1398	0.0528	0.8133	-0.1712	-0.0145	0.2496	0.2554	-0.3043	1.0024	0.2759	0.5735	86.9819	30.5174	94.7673
6	5.7868	3.6753	-1.1563	7.6012	-4.4264	2.9122	0.2576	-0.5144	-0.1606	-0.3441	-0.6592	-0.7059	0.3021	1.102	0.2523	0.4273	0.1295	0.0213	0.614	-0.0617	0.5432	87.03	36.5756	81.0379
7	8.9802	6.9266	-2.6632	6.3825	-3.4374	5.1157	-0.1506	0.3677	-0.5326	-0.4014	0.5253	0.3276	0.6667	0.1711	-0.3667	0.8349	0.0985	-0.1265	0.354	-0.0455	0.736	70.9248	22.4712	65.2801
8	8.1872	-3.0728	-0.556	7.234	0.4105	6.7898	0.1973	-0.2659	0.7629	-0.4107	-0.2055	-1.1709	-0.5068	0.3319	0.0089	0.5081	-0.0477	0.0918	0.5298	-0.0453	0.3439	78.7301	48.3575	60.4419
9	2.0269	-0.9333	-2.6943	4.1144	5.0769	7.4993	0.1638	0.2615	0.3184	-0.2494	0.2476	0.1781	-0.4049	-0.1834	-0.4949	0.6383	-0.0862	0.0569	0.38	-0.0235	0.5509	65.4006	63.5361	69.6327
10	8.7684	0.824	-3.4166	5.9591	2.1767	2.3882	0.2492	-0.3384	0.2778	-0.1777	-0.1853	-0.2919	-0.1186	0.4236	-0.0606	0.5933	-0	-0.056	0.3763	-0.0749	0.3641	65.2305	54.0731	61.2352
11	4.0014	-2.1939	1.3009	5.6915	4.3064	7.7482	-0.6765	-0.3715	0.9603	-0.4997	0.7647	-0.4886	-0.7444	0.7097	0.0519	0.6997	-0.1949	0.1656	0.4966	-0.0323	0.558	81.0282	54.1638	55.0708
12	3.1688	3.3228	-1.8203	4.1967	-0.8943	2.3344	-0.028	0.5214	-0.8113	-0.3467	0.1721	-0.0796	0.3384	-0.0686	-0.1766	0.7598	0.0204	-0.0975	0.4158	-0.0357	0.3549	69.2784	44.4683	55.5505
13	3.6141	0.751	-2.274	3.5223	-1.9683	2.7647	-0.2367	0.2568	-0.071	-0.6517	0.1749	-0.1119	-0.0443	-0.1299	-0.0051	0.8427	-0.0329	-0.0122	0.5592	0.0331	0.4221	69.4935	50.1376	49.5893
14	6.5437	3.4485	2.5419	2.9806	0.0641	4.1358	0.4614	1.7915	-0.2937	-1.4549	-0.251	-1.1434	0.6239	0.8759	-0.1402	1.1278	0.0145	0.2594	0.8825	0.0028	0.4506	81.8016	50.1929	45.614
15	8.2329	-2.2512	-2.4701	1.1397	0.9658	3.3095	0.025	0.9068	0.409	-0.4395	0.0137	-0.1013	-0.2576	-0.4922	-0.058	0.7461	-0.0741	-0.0639	0.453	0.0011	0.3824	67.8916	50.9297	54.4013
16	3.7206	-1.344	-0.262	3.8771	-0.1313	1.0142	-0.0796	0.2853	0.0395	-0.0641	0.1253	-0.2773	0.5917	0.1299	0.0736	0.6952	-0.022	-0.0808	0.4326	-0.039	0.3735	58.2015	38.9432	68.731
17	4.1698	1.1224	5.3188	0.3952	1.2434	7.0555	-0.5238	-1.251	1.2029	0.2164	0.3652	0.198	-1.0315	-0.201	0.3743	0.6159	0.0058	0.0667	0.5832	-0.1823	0.7975	62.7131	53.3525	94.9937
18	2.524	0.7704	-0.0128	2.4959	0.1392	1.2603	0.1308	-0.1663	0.145	0.1346	-0.0981	-0.0054	-0.0989	0.0551	0.001	0.4282	-0.0007	0.0079	0.323	-0.0121	0.2762	60.8957	47.2232	85.5261
19	4.7547	-2.0045	1.6343	6.7607	-5.6338	4.6573	-0.1466	-0.0669	1.3733	1.1987	0.6465	0.5961	-1.1124	-1.0835	-0.4064	0.7612	0.0998	0.0734	0.6772	-0.0264	0.6914	41.8068	52.9985	84.4142
20	3.4142	-0.161	-0.1833	4.4984	-0.7732	3.7184	-0.0094	-0.0939	-0.2665	-0.3479	0.0424	0.4702	0.1167	-0.3915	-0.05	0.456	-0.0902	-0.0172	0.3834	-0.0083	0.3745	48.1599	42.1532	82.8141
21	1.1996	-0.3088	0.9664	2.4054	-0.1914	2.6559	0.0396	0.1161	0.0443	-0.3466	0.0606	-0.4876	0.1176	0.0887	-0.1345	0.5356	-0.0549	0.0303	0.4186	-0.0874	0.6136	76.6274	94.3521	98.2664
22	4.7445	-1.9206	3.7903	4.2278	0.1262	8.8865	0.0434	-0.0566	-0.2382	-0.0061	0.06	-0.1901	0.1061	0.0649	-0.1131	0.3176	-0.0482	0.0677	0.2621	-0.0626	0.4449	71.9679	92.7888	103.1049
23	3.9516	-0.3798	0.2866	3.6461	-2.7667	6.3294	0.4177	0.5412	-0.0651	-0.2292	0.2629	0.1957	0.1908	0.189	-0.6276	0.4489	-0.0554	0.0264	0.3568	-0.0566	0.5447	70.6459	103.483	102.7168
24	7.4264	-5.0399	4.6006	3.4068	-3.1326	2.8404	-0.3697	-0.9172	-0.6047	-0.1416	1.3918	0.4163	0.239	-0.8227	-0.6593	0.7494	-0.1946	-0.0146	0.5668	0.0326	0.4393	69.0053	88.3309	116.9123
25	3.729	-1.2545	0.3452	3.5294	1.1077	3.2401	0.0066	-0.3955	0.265	0.405	0.1147	-0.3561	-0.1531	0.1391	-0.0368	0.4591	-0.0257	-0.0754	0.3842	-0.0728	0.5323	72.2673	98.8209	111.8076
26	6.7171	4.1721	3.6278	7.8778	7.2077	7.4668	0.0642	0.3484	0.2892	-0.4601	0.4442	-0.2984	-0.3172	0.2314	-0.3736	0.6876	-0.1254	0.0827	0.4263	0.1082	0.6053	77.657	109.9764	89.6262
27	4.4671	-2.5688	1.0948	4.9621	0.932	0.9527	-0.0594	0.6824	-0.4725	-0.2572	0.1788	-0.4107	0.2231	-0.0867	-0.0898	0.8267	-0.1536	0.2741	0.7253	-0.0892	0.7103	84.6923	90.4385	74.5691
28	5.9117	0.2774	-1.187	2.5595	-0.4727	3.1422	0.0789	1.3736	0.5668	-0.9465	0.151	-0.0325	-0.2418	-0.1216	-0.2279	1.1276	-0.0707	0.2038	0.8467	0.1644	0.7696	76.8538	108.092	72.6224
29	6.2937	4.2503	-3.1228	7.8123	-3.6265	4.0504	0.1775	1.6724	0.5982	-0.589	0.3246	2.0448	-0.1861	-1.472	-0.8513	0.8905	0.0762	-0.0423	0.9466	0.3469	0.588	65.1499	111.3159	71.1222
30	3.4677	1.6049	-0.1256	1.7618	-1.5244	3.0328	1.1147	1.0796	0.8007	-1.606	-0.3863	-0.9097	-1.0585	0.2497	-0.0391	1.2052	-0.139	0.4377	0.785	0.1135	0.7295	80.3926	105.4995	72.7748
31	0.669	0.6191	0.7591	7.8692	1.8381	3.0138	-0.2236	0.3148	-0.1035	-0.2855	0.0957	-0.5624	-0.1329	0.4655	0.1086	0.6961	-0.2581	0.2373	0.6256	-0.0082	1.0472	95.184	105.4602	87.9948
32	8.3651	4.6814	-1.6093	3.4311	0.9054	4.1637	0.0763	0.0524	-1.1035	-0.2809	0.0459	-0.9772	0.0683	0.3158	-0.0272	0.5337	0.0162	0.0937	0.4504	-0.0672	0.9338	87.7957	78.3301	96.0487
33	1.9601	-0.1697	-1.8985	2.715	0.3569	4.6606	-0.3189	-0.2583	0.2672	-0.4365	0.1972	-0.9941	-0.0798	0.8402	0.2193	0.4878	-0.056	0.0925	0.8337	-0.085	1.2776	104.0455	92.2114	94.0925
34	0.5065	1.0892	0.2173	2.9283	-0.9829	3.5948	-0.422	-0.3557	-0.3287	-0.708	-0.318	-1.7021	0.559	1.3543	0.5878	0.4832	0.0113	0.1909	1.0033	-0.0824	1.5514	107.2587	92.3392	91.0017
35	4.661	-0.079	3.1773	2.3979	1.327	2.9862	1.3232	-0.5646	0.5279	-1.8871	-0.2894	-0.7965	0.888	1.753	-1.1939	1.3289	0.1082	-0.0854	0.8469	-0.2305	1.0007	83.51	64.9993	102.0933
36	3.495	-3.3503	2.1029	4.9115	-0.9975	1.9055	0.1147	0.3088	-0.4824	-1.2861	-0.1941	-0.3774	0.526	-0.7092	0.2847	0.7668	-0.1296	0.3992	0.8549	-0.1226	1.1841	92.8044	84.302	80.3076
37	1.436	-0.8212	-0.9247	1.1784	0.5492	1.3698	-0.2011	-0.942	-0.6926	0.1985	-0.0529	-1.3295	2.3219	-0.311	0.5525	1.635	-0.3124	0.9922	1.3929	-0.0714	1.7502	93.1594	68.9121	65.3899
38	9.5365	-3.7259	-0.5918	6.1701	-2.2511	1.3457	1.4665	0.415	1.261	-0.8794	-0.9787	-0.2585	-0.4367	0.6242	-1.6451	0.9669	-0.0096	0.6489	1.6772	-0.6818	1.1588	94.642	66.3333	72.9007
39	6.8121	6.2291	-6.2524	5.7409	-5.6842	5.7736	-1.5506	1.3524	-0.6999	-2.9555	-0.279	-3.1822	1.8297	0.5132	1.6623	1.0886	0.0053	0.3753	0.7079	0.2706	1.2183	85.7481	57.8666	82.4376
40	8.1588	7.3101	-4.2905	9.0186	-5.3426	6.2135	0.2332	-1.6017	-0.3261	-0.087	-0.5146	0.08	0.3847	0.7923	0.3176	0.4979	0.0371	0.0681	0.7494	0.0104	0.3953	73.3221	47.5376	94.0919
41	2.0243	1.7164	1.8497	2.1969	1.8085	2.1161	-2.7878	2.446	2.505	1.6021	1.6791	-0.8698	1.545	2.3548	0.6088	1.6951	0.2995	-0.2967	1.8364	-0.1072	1.8002	53.7996	76.8014	74.9843
42	7.6884	-4.7392	0.8161	8.9353	-4.2304	7.4021	0.6455	3.2174	0.1843	-1.3879	-0.6726	1.1242	0.5776	-0.7261	-0.2507	1.514	0.1385	-0.9986	1.156	-0.0456	1.4293	64.014	75.3279	71.4049
43	5.5717	-1.5819	3.1342	0.469	-0.7179	3.453	0.6742	0.218	-0.2587	-1.0184	-0.3535	-0.4926	1.5233	0.1985	0.1273	1.5561	-0.2684	0.017	0.3873	0.1771	0.5383	72.5739	64.7065	68.2984
44	4.3026	3.9164	-4.4332	4.7311	-5.4819	9.4598	0.9061	-1.2336	0.9269	-1.954	-0.6581	-1.2211	0.2759	1.5725	-0.0495	0.7104	-0.2084	0.1128	0.8023	-0.0731	0.7759	87.8439	53.2994	66.2026
45	2.713	1.4467	2.727	3.3812	-1.02	6.4767	2.0627	-2.0332	-0.4874	0.5877	-0.6092	0.2484	0.1611	-0.8992	-1.4112	0.7956	-0.073	-0.1411	0.8923	-0.1743	0.7265	74.5776	60.6385	95.1424
46	8.1541	-1.6564	2.5516	8.6343	3.381	3.0587	0.1058	0.2258	0.9488	-0.8584	-0.5274	0.0103	-0.8074	-0.1352	0.435	0.5727	-0.0172	0.0092	0.4357	0.0066	0.5172	57.1764	60.1675	71.6016
47	6.6326	5.6539	-2.8128	5.0817	-3.4649	5.4663	1.1211	1.5254	1.5774	-2.088	-0.1843	-2.283	-0.533	1.3097	-0.9304	0.8532	-0.1184	0.5734	1.2218	-0.061	1.1056	86.1433	77.5942	70.8112
48	4.2696	-3.3425	1.0773	4.8684	2.0495	6.4753	0.7344	0.4591	-0.9377	-1.5017	-0.8535	0.26	-0.7199	-0.9617	0.1228	0.8611	0.0675	-0.016	0.703	-0.0465	0.6429	66.4716	92.6315	83.0715
49	1.9999	-8.5966	-3.2801	7.0552	-0.1977	8.9335	-0.5068	0.2604	-0.0599	-1.5305	-0.6575	2.5478	0.3733	-3.294	-0.7392	1.4669	0.174	-0.7889	1.4516	-0.1285	1.6232	59.9272	79.8595	79.9152
50	7.4968	0.0891	-8.1052	1.012	-0.8863	9.3718	1.4267	1.8641	0.6837	2.8132	-1.7826	2.0694	-1.2901	-4.1549	-0.5756	1.0546	-0.377	0.2867	1.4008	-0.3202	0.6778	64.7588	78.5067	90.417
51	5.0227	2.7329	4.5917	3.3075	0.6252	6.1185	0.2869	0.1721	1.5858	-1.6461	-1.9969	0.519	-2.3349	-1.5551	1.5245	1.0888	0.2434	-0.2799	0.7664	-0.2551	0.947	75.5381	80.8522	98.485
52	2.454	-4.2149	3.8034	9.1101	-4.3734	9.217	-0.2258	-0.1852	-1.4554	-1.3292	1.0018	-1.3269	1.1928	0.1887	-0.5537	0.6777	0.0344	0.0731	0.6569	-0.0107	0.8765	87.938	82.0255	106.1508

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 618 through 656 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 657 through 686 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 687 through 702 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 703 through 772 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 773 through 789 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 790 through 812 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 618 through 634 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 635 through 656 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 657 through 686 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 687 through 702 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 703 through 712 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 713 through 727 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 728 through 772 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 773 through 789 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 790 through 811 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 618 through 656 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 657 through 666 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 667 through 738 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 739 through 753 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 754 through 811 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 618 through 686 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 687 through 712 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 713 through 738 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 739 through 753 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 754 through 812 )
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 618 through 656 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 657 through 702 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 703 through 772 )
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 773 through 789 )
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 790 through 811 )
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 618 through 656 )
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 657 through 686 )
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 687 through 772 )
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 773 through 811 )
35	X-RAY DIFFRACTION	35	chain 'G' and (resid 379 through 388 )
36	X-RAY DIFFRACTION	36	chain 'G' and (resid 389 through 404 )
37	X-RAY DIFFRACTION	37	chain 'H' and (resid 379 through 383 )
38	X-RAY DIFFRACTION	38	chain 'H' and (resid 384 through 388 )
39	X-RAY DIFFRACTION	39	chain 'H' and (resid 389 through 393 )
40	X-RAY DIFFRACTION	40	chain 'H' and (resid 394 through 404 )
41	X-RAY DIFFRACTION	41	chain 'I' and (resid 380 through 384 )
42	X-RAY DIFFRACTION	42	chain 'I' and (resid 385 through 389 )
43	X-RAY DIFFRACTION	43	chain 'I' and (resid 390 through 394 )
44	X-RAY DIFFRACTION	44	chain 'I' and (resid 395 through 404 )
45	X-RAY DIFFRACTION	45	chain 'J' and (resid 378 through 392 )
46	X-RAY DIFFRACTION	46	chain 'J' and (resid 393 through 404 )
47	X-RAY DIFFRACTION	47	chain 'K' and (resid 382 through 391 )
48	X-RAY DIFFRACTION	48	chain 'K' and (resid 392 through 404 )
49	X-RAY DIFFRACTION	49	chain 'L' and (resid 382 through 386 )
50	X-RAY DIFFRACTION	50	chain 'L' and (resid 387 through 391 )
51	X-RAY DIFFRACTION	51	chain 'L' and (resid 392 through 396 )
52	X-RAY DIFFRACTION	52	chain 'L' and (resid 397 through 404 )

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