PDB-4j4a: Crystal Structure of Engineered Trimeric Cortexillin-1 Coiled-Coi...

ID or keywords:

Entry

Database: PDB / ID: 4j4a

Title

Crystal Structure of Engineered Trimeric Cortexillin-1 Coiled-Coil Variant

Components

Cortexillin-1

Keywords

DE NOVO PROTEIN / trimer / coiled-coil

Function / homology

Function and homology information

lateral part of motile cell / sorocarp stalk morphogenesis / negative regulation of protein localization to cell cortex / actomyosin contractile ring contraction / adenylate cyclase-activating G protein-coupled cAMP receptor signaling pathway / regulation of myosin II filament assembly / chemotaxis to cAMP / protein localization to cleavage furrow / cell trailing edge / positive regulation of cytoskeleton organization ...
Similarity search - Function

Biological species

Dictyostelium discoideum (eukaryote)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.6499 Å

Authors

Bjelic, S. / Steinmetz, M.O. / Kammerer, R.A.

Citation

Journal: Plos One / Year: 2013
Title: Structural basis for the oligomerization-state switch from a dimer to a trimer of an engineered cortexillin-1 coiled-coil variant.
Authors: Bjelic, S. / Wieser, M. / Frey, D. / Stirnimann, C.U. / Chance, M.R. / Jaussi, R. / Steinmetz, M.O. / Kammerer, R.A.

History

Deposition	Feb 6, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 22, 2013	Provider: repository / Type: Initial release
Revision 1.1	Jun 5, 2013	Group: Database references
Revision 1.2	Feb 28, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _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	4j4a.cif.gz	133.2 KB	Display	PDBx/mmCIF format
PDB format	pdb4j4a.ent.gz	111.7 KB	Display	PDB format
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Validation report

Summary document	4j4a_validation.pdf.gz	501.9 KB	Display	wwPDB validaton report
Full document	4j4a_full_validation.pdf.gz	503 KB	Display
Data in XML	4j4a_validation.xml.gz	14 KB	Display
Data in CIF	4j4a_validation.cif.gz	20.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/j4/4j4a ftp://data.pdbj.org/pub/pdb/validation_reports/j4/4j4a	HTTPS FTP

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Related structure data

Similar structure data	2p32-2 2p32-1 2p32-5 2p32-6 2kub-d 1m7k-d 3fxe-d 2p32-3 2p32-4 2vsd-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#70 - Oct 2005 Designer Proteins similarity (1)

Deposited unit

A: Cortexillin-1

B: Cortexillin-1

C: Cortexillin-1

D: Cortexillin-1

E: Cortexillin-1

F: Cortexillin-1

G: Cortexillin-1

H: Cortexillin-1

I: Cortexillin-1

J: Cortexillin-1

K: Cortexillin-1

L: Cortexillin-1

hetero molecules

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

1

A: Cortexillin-1

B: Cortexillin-1

C: Cortexillin-1

hetero molecules

defined by author
9.48 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

D: Cortexillin-1

E: Cortexillin-1

F: Cortexillin-1

hetero molecules

defined by author
9.48 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

G: Cortexillin-1

H: Cortexillin-1

I: Cortexillin-1

defined by author
9.39 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

J: Cortexillin-1

K: Cortexillin-1

L: Cortexillin-1

defined by author
9.39 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	41.880, 78.050, 114.980
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein/peptide	Cortexillin-1 / Cortexillin I Mass: 3128.816 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Dictyostelium discoideum (eukaryote) / Gene: ctxA, DDB_G0289483 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) crystal / References: UniProt: Q54HG2
#2: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: PO₄
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 184 / 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: 2.5 Å³/Da / Density % sol: 50.85 %

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
Detector	Type: DECTRIS PILATUS 2M / Detector: PIXEL
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.6→50 Å / Num. all: 46235 / Num. obs: 46230 / % possible obs: 99.99 % / Observed criterion σ(F): 1.5 / Observed criterion σ(I): 1.5

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHENIX	dev_1042	refinement
PDB_EXTRACT	3.11	data extraction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.6499→46.288 Å / Occupancy max: 1 / Occupancy min: 0 / FOM work R set: 0.8169 / SU ML: 0.19 / σ(F): 1.99 / Phase error: 25.24 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2578	4640	10.04 %	Ramdom
R_work	0.2129	-	-	-
all	0.2578	46235	-	-
obs	0.2174	46230	99.97 %	-

Solvent computation

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

Displacement parameters

B_iso max: 124.64 Å² / B_iso mean: 32.7673 Å² / B_iso min: 11.35 Å²

Refinement step

Cycle: LAST / Resolution: 1.6499→46.288 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	2330	0	10	184	2524

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.015	2469
X-RAY DIFFRACTION	f_angle_d	1.542	3261
X-RAY DIFFRACTION	f_chiral_restr	0.093	406
X-RAY DIFFRACTION	f_plane_restr	0.006	394
X-RAY DIFFRACTION	f_dihedral_angle_d	13.88	1044

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30 / % reflection obs: 100 %

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all
1.6499-1.6686	0.3075	139	0.2777	1383	1522
1.6686-1.6883	0.2851	161	0.2694	1360	1521
1.6883-1.7089	0.3209	148	0.2677	1355	1503
1.7089-1.7305	0.3029	166	0.2553	1359	1525
1.7305-1.7533	0.3356	158	0.2542	1352	1510
1.7533-1.7773	0.3138	169	0.2404	1347	1516
1.7773-1.8027	0.2666	158	0.2367	1376	1534
1.8027-1.8296	0.2648	158	0.2401	1364	1522
1.8296-1.8582	0.2388	136	0.2276	1357	1493
1.8582-1.8886	0.2566	145	0.2324	1398	1543
1.8886-1.9212	0.3386	173	0.2787	1345	1518
1.9212-1.9561	0.2988	159	0.2515	1363	1522
1.9561-1.9938	0.2605	153	0.223	1392	1545
1.9938-2.0345	0.2403	140	0.2147	1353	1493
2.0345-2.0787	0.2615	137	0.2115	1407	1544
2.0787-2.1271	0.233	155	0.207	1370	1525
2.1271-2.1803	0.2564	156	0.2168	1374	1530
2.1803-2.2392	0.2552	167	0.2202	1358	1525
2.2392-2.3051	0.271	150	0.2136	1393	1543
2.3051-2.3795	0.2565	156	0.1961	1372	1528
2.3795-2.4645	0.2481	162	0.2025	1412	1574
2.4645-2.5632	0.2859	148	0.2142	1361	1509
2.5632-2.6798	0.2536	164	0.2061	1386	1550
2.6798-2.8211	0.253	136	0.2152	1410	1546
2.8211-2.9978	0.2812	146	0.2089	1429	1575
2.9978-3.2292	0.2461	151	0.2152	1406	1557
3.2292-3.5541	0.2559	159	0.2019	1411	1570
3.5541-4.0681	0.2248	161	0.1866	1414	1575
4.0681-5.1244	0.188	149	0.1819	1457	1606
5.1244-46.3067	0.3153	180	0.2356	1526	1706

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	5.8426	-4.5512	-4.0546	8.1771	3.005	2.8299	0.0499	0.3447	-0.2086	0.2901	-0.517	0.8159	0.2907	-0.469	0.3505	0.2674	-0.0628	0.1106	0.2187	-0.0861	0.3738	34.0524	159.3159	243.9235
2	6.7898	-1.3916	-0.3948	2.7809	0.956	6.4147	0.2674	-0.8792	0.02	0.9448	-0.3497	0.8853	0.168	-0.5413	0.0985	0.3113	-0.0889	0.1174	0.2861	-0.0502	0.3567	34.4106	151.6418	240.6234
3	9.9316	4.7511	-0.2469	2.7969	1.3586	4.2487	-0.0629	0.2425	-0.3419	0.2996	-0.1661	0.5905	0.5321	-0.1273	0.013	0.238	-0.0665	0.0171	0.2308	-0.0508	0.3484	36.0648	145.2119	235.5314
4	4.2769	-1.1982	4.7265	5.6327	-5.6905	8.8196	0.5645	0.9443	-0.5728	-0.1993	-0.4201	-0.186	0.0249	0.9486	0.2169	0.482	0.0031	-0.1234	0.3249	-0.1165	0.5225	37.3275	137.446	233.3536
5	1.7503	2.57	1.8594	4.1667	1.4107	7.9936	-0.8791	-0.2829	0.5367	0.8446	0.3237	0.0934	-0.83	0.3902	0.4573	0.6987	-0.0619	-0.1192	0.3676	-0.0021	0.4351	32.9689	128.7316	227.2066
6	3.1565	0.635	0.857	2.0345	-0.7135	1.0721	0.0166	-0.111	0.127	-0.0035	-0.191	-0.0019	-0.025	0.0417	0.2235	0.2175	0.0025	0.0067	0.2136	-0.0124	0.1609	40.0487	164.6293	235.4994
7	4.4411	-0.0944	1.299	6.9407	0.5385	4.4909	0.155	0.2507	-0.2567	0.2067	-0.3	0.9297	0.0695	-1.036	0.1862	0.224	-0.0166	0.0396	0.2852	-0.0417	0.2377	36.1178	158.6985	232.2122
8	9.0457	3.1636	4.7322	3.9706	-2.4152	8.7846	0.4934	0.3674	-0.7371	-0.3261	-0.1392	0.2273	0.7162	-0.0004	0.0375	0.2636	0.0081	0.0131	0.3219	-0.1275	0.3753	34.7661	151.531	228.0053
9	3.886	-1.129	3.6893	2.4289	-0.9882	3.5161	0.2494	0.3803	-0.4177	-0.8745	0.5295	-0.2901	0.4603	-0.3154	0.0173	0.401	-0.0643	-0.0933	0.5477	-0.1962	0.4765	31.0074	143.9714	224.8067
10	1.2898	-1.1442	-1.061	1.1113	0.6392	1.9275	-0.1446	0.1685	-0.3117	-0.5635	0.6044	-0.7681	0.2557	0.2828	1.6499	0.5941	-0.0693	0.0305	0.3293	-0.3858	0.8462	30.3293	138.3849	225.9546
11	7.2139	3.292	4.1561	5.8313	1.7239	3.6801	-0.0157	-0.1593	0.2629	0.2615	0.0784	0.1589	-0.0198	-0.0295	-0.0291	0.1946	0.0278	0.0387	0.2372	0.0167	0.2074	45.601	157.9259	243.5267
12	4.0763	-0.2765	0.9804	2.6235	3.7403	7.7995	0.1681	0.1683	-0.1476	-0.4755	0.0279	-0.4336	0.0269	0.0249	-0.0477	0.2293	-0.0085	0.0448	0.1654	0.0105	0.2142	45.4694	152.0196	235.2398
13	2.8337	-0.3695	-3.0046	1.7642	1.8303	8.3753	-0.0241	-0.3415	-1.1717	-0.4121	-0.4725	-0.4062	0.5693	-0.0149	0.2814	0.4227	-0.0292	0.0972	0.347	-0.0717	0.4085	43.3035	143.9409	227.3173
14	1.873	0.8855	0.4702	9.3797	3.8788	8.7053	0.2206	-0.7609	-1.2181	0.8593	-0.4164	-0.363	0.8505	0.1181	0.1118	0.2976	0.0185	-0.0364	0.293	0.0493	0.3596	56.6645	167.1535	254.0058
15	6.2461	0.7541	0.3614	6.6769	-4.9793	7.9749	0.2004	0.4462	-0.3686	-0.6968	-0.0927	-0.1183	0.5403	0.1114	-0.2031	0.23	0.0143	-0.0362	0.2698	-0.0652	0.2291	57.6076	172.3997	247.7
16	6.3588	2.8721	-1.1382	5.0419	-4.6371	4.7435	0.2835	-0.2798	0.4123	-0.5025	-0.2122	0.9957	-0.2666	0.2108	-0.1435	0.2773	0.0117	-0.0332	0.2949	-0.0323	0.265	60.431	179.1056	243.3912
17	5.8989	0.1062	0.6796	7.5341	-2.5205	5.9961	-0.0182	0.0866	-0.156	-0.4476	0.0369	-0.5258	0.7121	-0.4569	0.0774	0.3176	0.0091	0.0054	0.2457	-0.0313	0.1818	62.8356	183.4733	236.6755
18	2.5337	0.0099	-3.0234	0.6051	0.2635	4.5984	0.0897	-0.0885	0.0433	-0.0502	0.1678	0.1312	-0.2402	-0.0007	-0.1153	0.3264	0.0026	0.012	0.2099	0.0173	0.2742	65.9433	189.9731	232.0411
19	2.3217	2.2064	0.4298	2.1561	0.2051	0.8485	-0.3836	0.7573	-1.0408	-0.6963	0.6625	0.5753	-0.1334	-0.4848	-0.1686	0.4252	-0.0038	0.0153	0.6256	-0.1383	0.4979	62.1343	172.236	261.8352
20	0.6622	-1.2439	0.7051	8.5641	2.6571	4.9862	0.7358	-0.8471	0.1695	1.4886	-0.0373	0.2761	0.0617	0.3193	-0.5254	0.4954	-0.0351	0.0106	0.4053	-0.0616	0.226	60.1962	178.4555	257.5718
21	8.662	-1.1414	-0.8339	7.182	-1.9562	5.7329	0.1991	-0.4332	0.1718	0.7096	-0.0797	0.2213	-0.3483	-0.0205	-0.1334	0.2861	0.0008	-0.0121	0.3259	-0.0621	0.2148	60.5785	184.6677	252.1168
22	2.65	-2.2865	-1.0644	5.2072	-2.4285	3.8994	0.2953	0.8382	0.5225	0.1226	0.2103	1.1052	-1.1265	-0.6934	-0.1822	0.2981	0.106	0.0309	0.3397	0.0142	0.4042	57.7326	191.6698	246.9126
23	4.1305	1.1337	2.3509	5.1489	1.475	2.0916	-0.34	-0.4139	-0.1738	1.1468	0.2438	-0.244	-0.7608	-0.4666	0.1677	0.5683	0.0536	-0.0198	0.3053	-0.0141	0.3393	60.0458	193.8809	240.2932
24	5.5327	-2.0769	-0.6243	6.498	1.3047	8.2221	-0.0475	0.0524	-0.4146	0.2574	0.1191	-0.1009	0.4828	0.5567	0.0895	0.254	-0.0228	-0.0481	0.3978	-0.0358	0.3086	68.591	168.8005	253.8889
25	9.0656	-0.8753	-0.6524	2.0673	-0.3982	7.3177	-0.1084	0.0145	-0.864	-0.1157	0.2263	0.5755	0.2897	-0.1041	0.0451	0.2062	-0.0072	-0.0134	0.283	-0.0183	0.2732	69.1021	174.9679	249.6538
26	9.1887	1.7811	-2.0641	3.3541	-3.5161	3.6909	-0.1765	0.235	0.0136	-0.4302	0.2003	0.0841	0.3731	-0.008	0.0631	0.2949	0.0054	-0.0205	0.2614	-0.0238	0.2279	67.6922	182.0339	247.2971
27	6.0483	0.7822	0.5475	6.959	-2.2607	8.7766	0.3457	-0.4806	0.4849	0.3017	-0.5944	-0.5374	-0.4977	0.1959	0.3455	0.3157	0.0291	-0.1178	0.3554	0.0018	0.3167	69.527	189.5686	245.313
28	4.7107	2.6379	-0.5867	4.4687	2.1151	6.8038	-0.0275	0.3491	-0.0423	-0.1245	0.2622	-0.154	-0.1007	-0.3291	-0.2036	0.3915	-0.0781	-0.1066	0.4017	0.0378	0.2604	67.0062	196.4685	236.8138
29	2.7433	-0.9749	-0.0777	5.8617	1.1348	3.9267	-0.2318	-0.2617	0.0256	0.2337	0.1275	-0.063	0.143	-0.1016	0.1111	0.1758	0.0102	0.0045	0.2599	-0.0317	0.2109	47.2027	167.1936	250.643
30	8.7092	1.1776	3.2436	9.3579	3.9715	2.5793	0.0289	-0.0518	-0.6996	0.724	0.2496	-0.0892	0.9766	0.2458	-0.1108	0.2663	0.0318	0.0075	0.2652	-0.0276	0.2021	45.4712	174.084	258.2064
31	2.4891	-1.0506	-2.1467	5.7543	2.9611	2.6769	0.0348	0.0478	-0.0554	0.5904	0.2347	-0.355	0.7044	0.3798	-0.296	0.3697	0.0584	0.0169	0.2761	-0.0639	0.2306	44.8325	182.4429	263.9119
32	2.215	-0.8768	1.9977	8.4863	0.6645	2.1527	0.1844	0.3278	0.0556	-0.5431	-0.055	-0.4524	0.2367	0.8936	-0.3409	0.3478	0.0875	0.0317	0.3234	-0.0035	0.2903	42.5135	188.3182	270.0596
33	3.6476	0.7371	1.5651	6.0203	0.5566	6.6705	-0.0256	0.0235	0.0599	0.0165	0.1386	0.1633	-0.2815	0.1418	0.0574	0.2607	0.0097	0.0033	0.2426	-0.004	0.2045	41.4071	172.3216	241.0147
34	6.3971	6.485	6.1544	9.4776	3.5834	9.6646	0.0545	0.1635	-0.1046	-1.1686	-0.0229	-0.4317	-0.0954	0.3291	0.1846	0.3033	0.0419	0.0321	0.2329	0.0041	0.21	45.689	178.6363	246.9703
35	7.7455	-5.9307	-4.2277	4.7134	2.5814	4.8377	0.0621	0.3005	0.9102	-0.515	0.0614	0.0685	-0.2926	-0.7261	-0.0681	0.2288	0.0084	-0.0204	0.3416	0.0013	0.3269	47.3003	186.9428	253.8466
36	3.4601	3.4497	0.5295	3.6541	0.2333	1.0879	-0.029	0.0473	0.4302	0.3646	0.1697	-0.7768	-0.5616	-0.5481	-0.2063	0.4301	0.0203	-0.0487	0.4461	-0.0915	0.5426	50.6114	191.1563	260.0623
37	3.4391	2.2989	3.3783	8.6411	1.8104	3.3869	-0.1162	0.3621	-0.2632	0.3555	-0.4531	0.4683	0.9275	-0.0271	0.5909	0.2768	0.0042	0.0744	0.2473	-0.0534	0.2303	35.7693	166.5547	249.9499
38	4.041	-0.0341	-1.2663	6.2652	0.0484	3.7292	-0.0585	-0.049	0.0656	-0.5343	-0.3061	0.3099	0.0243	-0.3007	0.3045	0.153	0.0191	0.0022	0.2999	-0.0392	0.2114	36.0916	173.7279	251.8423
39	3.955	3.592	6.064	6.2804	4.617	9.5922	0.0585	-0.5284	0.6397	-0.3407	-0.156	0.2678	-0.3111	-0.458	0.1193	0.177	0.0318	0.0143	0.2765	-0.013	0.2798	37.3375	181.4734	255.6927
40	0.0542	0.3382	0.4176	3.3935	3.38	3.6565	-0.1204	0.601	0.8697	-1.1767	-0.2453	1.4842	-0.6551	-0.9136	-0.0539	0.4339	0.0746	-0.1658	0.4137	0.0245	0.6262	37.7241	191.6498	258.2901
41	4.9019	2.115	-2.3389	0.9687	-0.7604	2.2777	-0.055	-0.148	0.9953	0.1193	-0.0136	-0.145	-0.1247	0.3759	0.1346	-0.4414	-0.3767	0.1287	0.4643	0.6261	1.2336	65.5943	156.5106	244.0387
42	4.7528	-0.508	1.9908	2.9373	-1.959	3.3298	-0.2167	-0.434	0.5213	0.4714	-0.6059	0.2157	0.0493	0.3081	-0.0234	0.305	-0.006	0.1248	0.3699	0.1905	0.7363	63.8594	161.0264	236.2678
43	2.2934	-0.1577	2.7967	1.9341	1.2834	4.6983	-0.3294	0.087	-0.0031	-0.6174	-0.0165	-0.6644	-0.1677	0.3832	0.4802	0.3713	0.029	0.1715	0.3529	0.138	0.5626	62.4269	164.9914	227.3376
44	2.7599	1.2325	2.8291	7.8436	2.4195	3.568	0.3551	-0.0012	-0.8726	-0.2414	-0.4596	-0.8194	0.718	-0.2228	0.1594	0.3877	-0.0142	0.0816	0.3081	0.0943	0.3553	58.2075	170.8377	219.344
45	3.9295	1.6884	-2.5647	3.6128	-1.5072	1.7409	0.1312	0.4217	0.2779	-0.2641	-0.4295	-1.0929	0.5837	0.2555	0.1619	0.3859	0.0019	0.0335	0.2603	0.0664	0.4917	61.8414	145.8932	239.1784
46	4.04	-1.9226	-3.4113	1.5242	2.4788	4.0753	0.0881	0.2089	-0.8787	-0.2766	0.0595	-0.7768	0.4482	0.8182	0.0042	0.4187	0.2524	0.4156	0.4128	0.1132	1.0479	65.8674	151.2641	231.3959
47	2.0506	-0.4021	-2.0078	7.9034	2.6827	4.6116	0.1948	1.0102	-0.1766	-0.4487	-0.1223	-0.1541	0.5376	0.3134	-0.2858	0.3839	0.0343	0.1619	0.4746	0.0798	0.8268	65.4579	155.662	223.4379
48	1.2526	0.3864	0.221	0.2713	-0.147	0.3159	-0.1072	-0.539	-0.1332	0.5247	0.3472	0.6231	-0.2366	-0.2628	0.2651	0.4406	0.1434	0.3519	0.3913	0.1934	0.6858	68.2522	161.966	218.3778
49	8.6193	6.3543	-1.8857	6.8617	0.8169	2.6554	0.1722	-0.6384	1.0959	0.564	-0.196	0.4884	-0.1454	-0.5451	0.3395	0.2431	0.0001	0.025	0.2977	-0.0878	0.3689	54.9595	154.1582	244.6395
50	5.2725	0.5681	-3.9111	3.1911	-2.6743	4.5855	0.0099	-0.4146	0.4997	-0.3345	-0.2214	-1.1029	0.4052	0.4975	0.192	0.2465	0.023	0.0765	0.25	0.0263	0.4029	54.879	155.2986	235.9751
51	4.0535	-0.9239	3.4341	5.6739	-0.9741	2.9078	-0.2937	0.1613	0.037	-0.8443	0.1213	-0.1474	0.6261	-0.1039	0.015	0.5504	-0.0012	0.2148	0.2941	0.0585	0.3781	55.6183	157.0588	226.3388
52	6.9752	2.0974	-5.1912	0.761	-1.7563	6.2649	-0.3227	0.7472	-0.37	0.1782	-0.382	0.3379	0.8452	0.0497	0.3155	0.7902	0.07	0.2594	0.4796	-0.0006	0.5193	57.4508	158.0565	217.9037

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	(chain J and resid -1:4)	J	-1 - 4
2	X-RAY DIFFRACTION	2	(chain J and resid 5:10)	J	5 - 10
3	X-RAY DIFFRACTION	3	(chain J and resid 11:15)	J	11 - 15
4	X-RAY DIFFRACTION	4	(chain J and resid 16:20)	J	16 - 20
5	X-RAY DIFFRACTION	5	(chain J and resid 21:25)	J	21 - 25
6	X-RAY DIFFRACTION	6	(chain K and resid -1:4)	K	-1 - 4
7	X-RAY DIFFRACTION	7	(chain K and resid 5:9)	K	5 - 9
8	X-RAY DIFFRACTION	8	(chain K and resid 10:15)	K	10 - 15
9	X-RAY DIFFRACTION	9	(chain K and resid 16:20)	K	16 - 20
10	X-RAY DIFFRACTION	10	(chain K and resid 21:23)	K	21 - 23
11	X-RAY DIFFRACTION	11	(chain L and resid -1:4)	L	-1 - 4
12	X-RAY DIFFRACTION	12	(chain L and resid 5:13)	L	5 - 13
13	X-RAY DIFFRACTION	13	(chain L and resid 14:19)	L	14 - 19
14	X-RAY DIFFRACTION	14	(chain A and resid -1:4)	A	-1 - 4
15	X-RAY DIFFRACTION	15	(chain A and resid 5:10)	A	5 - 10
16	X-RAY DIFFRACTION	16	(chain A and resid 11:15)	A	11 - 15
17	X-RAY DIFFRACTION	17	(chain A and resid 16:20)	A	16 - 20
18	X-RAY DIFFRACTION	18	(chain A and resid 21:25)	A	21 - 25
19	X-RAY DIFFRACTION	19	(chain B and resid 1:4)	B	1 - 4
20	X-RAY DIFFRACTION	20	(chain B and resid 5:9)	B	5 - 9
21	X-RAY DIFFRACTION	21	(chain B and resid 10:15)	B	10 - 15
22	X-RAY DIFFRACTION	22	(chain B and resid 16:20)	B	16 - 20
23	X-RAY DIFFRACTION	23	(chain B and resid 21:25)	B	21 - 25
24	X-RAY DIFFRACTION	24	(chain C and resid 1:5)	C	1 - 5
25	X-RAY DIFFRACTION	25	(chain C and resid 6:10)	C	6 - 10
26	X-RAY DIFFRACTION	26	(chain C and resid 11:15)	C	11 - 15
27	X-RAY DIFFRACTION	27	(chain C and resid 16:20)	C	16 - 20
28	X-RAY DIFFRACTION	28	(chain C and resid 21:25)	C	21 - 25
29	X-RAY DIFFRACTION	29	(chain D and resid -1:7)	D	-1 - 7
30	X-RAY DIFFRACTION	30	(chain D and resid 8:13)	D	8 - 13
31	X-RAY DIFFRACTION	31	(chain D and resid 14:20)	D	14 - 20
32	X-RAY DIFFRACTION	32	(chain D and resid 21:25)	D	21 - 25
33	X-RAY DIFFRACTION	33	(chain E and resid -1:4)	E	-1 - 4
34	X-RAY DIFFRACTION	34	(chain E and resid 5:12)	E	5 - 12
35	X-RAY DIFFRACTION	35	(chain E and resid 13:18)	E	13 - 18
36	X-RAY DIFFRACTION	36	(chain E and resid 19:22)	E	19 - 22
37	X-RAY DIFFRACTION	37	(chain F and resid -1:4)	F	-1 - 4
38	X-RAY DIFFRACTION	38	(chain F and resid 5:9)	F	5 - 9
39	X-RAY DIFFRACTION	39	(chain F and resid 10:16)	F	10 - 16
40	X-RAY DIFFRACTION	40	(chain F and resid 17:21)	F	17 - 21
41	X-RAY DIFFRACTION	41	(chain G and resid 3:7)	G	3 - 7
42	X-RAY DIFFRACTION	42	(chain G and resid 8:12)	G	8 - 12
43	X-RAY DIFFRACTION	43	(chain G and resid 13:19)	G	13 - 19
44	X-RAY DIFFRACTION	44	(chain G and resid 20:25)	G	20 - 25
45	X-RAY DIFFRACTION	45	(chain H and resid 0:7)	H	0 - 7
46	X-RAY DIFFRACTION	46	(chain H and resid 8:13)	H	8 - 13
47	X-RAY DIFFRACTION	47	(chain H and resid 14:18)	H	14 - 18
48	X-RAY DIFFRACTION	48	(chain H and resid 19:21)	H	19 - 21
49	X-RAY DIFFRACTION	49	(chain I and resid 1:4)	I	1 - 4
50	X-RAY DIFFRACTION	50	(chain I and resid 5:11)	I	5 - 11
51	X-RAY DIFFRACTION	51	(chain I and resid 12:17)	I	12 - 17
52	X-RAY DIFFRACTION	52	(chain I and resid 18:22)	I	18 - 22

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