PDB-6job: Ferritin variant with "GMG" motif

ID or keywords:

Entry

Database: PDB / ID: 6job

Title

Ferritin variant with "GMG" motif

Components

Ferritin heavy chain

Keywords

OXIDOREDUCTASE / amyloidogenic motifs / protein nanocage / protein surfaces redesign / pH-manipulated / 2D ordered arrays / 3D cubic-like arrays

Function / homology

Function and homology information

iron ion sequestering activity / Scavenging by Class A Receptors / intracellular ferritin complex /

autolysosome / Golgi Associated Vesicle Biogenesis /

ferroxidase / intracellular sequestering of iron ion /

ferroxidase activity / negative regulation of fibroblast proliferation /

ferric iron binding ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SOLUTION SCATTERING /

SYNCHROTRON / Resolution: 2.93 Å

Authors

Zheng, B.W. / Zhou, K. / Zhang, T. / Lv, C. / Wang, H. / Zhao, G.

Funding support

China, 1items

Citation

Journal: To Be Published
Title: Self-assembly of protein nanocage into designed 2D and 3D networks by grafting amyloidogenic motifs on the exterior surfaces.
Authors: Zheng, B.W. / Zhou, K. / Zhang, T. / Lv, C. / Wang, H. / Zhao, G.

History

Deposition	Mar 20, 2019	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Mar 25, 2020	Provider: repository / Type: Initial release
Revision 1.1	Mar 27, 2024	Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6job.cif.gz	844.2 KB	Display	PDBx/mmCIF format
PDB format	pdb6job.ent.gz	715.3 KB	Display	PDB format
PDBx/mmJSON format	6job.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/jo/6job ftp://data.pdbj.org/pub/pdb/validation_reports/jo/6job	HTTPS FTP

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Related structure data

Similar structure data	2v2l-1 2z5p-1 2w0o-1 6hjt-1 2v2p-1 6pxm-d 1rcc-1 2v2n-1 5erj-1 5j9v-1 5e2d-1 5lg8-1 3af9-1 6tss-1 3wvv-1 6tr9-1 2v2i-1 5cmq-1 5vtd-1 1ier-1 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

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#35 - Nov 2002 Ferritin and Transferrin similarity (13) #237 - Sep 2019 Nanodiscs and HDL similarity (1) #114 - Jun 2009 Vaults similarity (1) #57 - Sep 2004 Catalase similarity (1)

Deposited unit

A: Ferritin heavy chain

B: Ferritin heavy chain

C: Ferritin heavy chain

D: Ferritin heavy chain

E: Ferritin heavy chain

F: Ferritin heavy chain

G: Ferritin heavy chain

H: Ferritin heavy chain

I: Ferritin heavy chain

J: Ferritin heavy chain

K: Ferritin heavy chain

L: Ferritin heavy chain

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

1

A: Ferritin heavy chain

B: Ferritin heavy chain

C: Ferritin heavy chain

D: Ferritin heavy chain

A: Ferritin heavy chain

B: Ferritin heavy chain

C: Ferritin heavy chain

D: Ferritin heavy chain

G: Ferritin heavy chain

H: Ferritin heavy chain

K: Ferritin heavy chain

L: Ferritin heavy chain

G: Ferritin heavy chain

H: Ferritin heavy chain

K: Ferritin heavy chain

L: Ferritin heavy chain

E: Ferritin heavy chain

F: Ferritin heavy chain

I: Ferritin heavy chain

J: Ferritin heavy chain

E: Ferritin heavy chain

F: Ferritin heavy chain

I: Ferritin heavy chain

J: Ferritin heavy chain

defined by author&software
Evidence: native gel electrophoresis
510 kDa, 24 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1
crystal symmetry operation	8_555	-y,-x,-z	1
crystal symmetry operation	3_454	-y-1/2,x+1/2,z-1/2	1
crystal symmetry operation	5_455	-x-1/2,y+1/2,-z+1/2	1
crystal symmetry operation	4_445	y-1/2,-x-1/2,z+1/2	1
crystal symmetry operation	6_554	x+1/2,-y+1/2,-z-1/2	1

Unit cell

Length a, b, c (Å)	219.170, 219.170, 147.950
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	94
Space group name H-M	P4₂2₁2

#1: Protein	Ferritin heavy chain / / Ferritin H subunit / Cell proliferation-inducing gene 15 protein Mass: 21270.756 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: FTH1, FTH, FTHL6, OK/SW-cl.84, PIG15 / Production host: Escherichia coli (E. coli) / References: UniProt: P02794, ferroxidase

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Experiment

Experiment

Method	Number of used crystals
X-RAY DIFFRACTION	1
SOLUTION SCATTERING

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Sample preparation

Crystal	Density Matthews: 3.48 Å³/Da / Density % sol: 64.66 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, hanging drop / Details: sodium citrate tribase dihydrate, 1,6-Hexanediol

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Data collection

Diffraction	Mean temperature: 77.15 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U1 / Wavelength: 0.97894 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Nov 9, 2018
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97894 Å / Relative weight: 1
Reflection	Resolution: 2.93→107.014 Å / Num. obs: 76098 / % possible obs: 98 % / Redundancy: 13.2 % / Net I/σ(I): 7
Reflection shell	Resolution: 2.97→3.05 Å

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Processing

Software

Name	Version	Classification
PHENIX	(1.14_3260: ???)	refinement
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Resolution: 2.93→107.014 Å / SU ML: 0.53 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 47 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.3677	3835	5.07 %
R_work	0.284	-	-
obs	0.2882	75679	97.53 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.93→107.014 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16956	0	0	0	16956

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.012	17292
X-RAY DIFFRACTION	f_angle_d	1.569	23280
X-RAY DIFFRACTION	f_dihedral_angle_d	10.482	10416
X-RAY DIFFRACTION	f_chiral_restr	0.078	2460
X-RAY DIFFRACTION	f_plane_restr	0.01	3060

LS refinement shell

Resolution: 2.93→2.9671 Å

	R_factor	Num. reflection	% reflection
R_free	0.4188	145	-
R_work	0.383	-	-
obs	-	2704	100 %

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	0.7573	-0.3516	0.3003	0.1805	-0.81	0.1086	-0.0367	0.1438	0.5849	-0.0556	-0.3128	0.1336	0.3163	0.3474	-0.0029	0.5223	0.0424	0.0395	0.4974	-0.1021	0.5092	-50.7363	0.7091	-7.8424
2	1.3153	-0.0283	0.0167	-1.198	0.9322	0.744	0.0276	-0.0279	0.305	-0.0354	-0.1286	0.0428	-0.0389	0.0296	0.0019	0.6088	0.0668	0.0064	0.5218	-0.0555	0.5764	-52.1268	5.5771	-7.058
3	0.7762	-1.6754	-1.0059	1.3772	0.3839	0.4036	0.2973	0.1742	-0.2633	0.2141	-0.1013	-0.0024	0.2427	0.0898	0.005	0.5032	-0.0287	-0.049	0.3955	0.0123	0.4259	-42.3866	-1.1612	-13.0718
4	0.1988	-0.1323	0.9016	0.1159	-1.6713	0.0109	-0.4149	0.3685	0.1301	0.2108	0.1787	-0.0715	0.154	-0.0988	-0.0012	0.5782	0.0039	-0.0277	0.5803	-0.1109	0.405	-41.4694	8.8027	-16.9152
5	-0.045	0.2563	-0.084	0.3635	0.009	0.2939	1.158	-0.5929	-0.2616	-0.2665	0.1164	0.5703	0.1013	-0.5333	0.0216	0.6758	-0.0453	-0.0801	0.5139	-0.0325	0.54	-23.6128	12.4051	-0.7481
6	-0.0951	0.1876	-0.292	0.8363	-0.0992	0.8202	0.4483	-0.2747	-0.1089	-0.3029	-0.2801	-0.035	0.7968	-0.3549	0.0022	0.5292	0.025	-0.0073	0.4382	0.0106	0.426	-50.7064	-0.0267	11.1404
7	0.2366	-0.2715	0.429	-0.8601	-0.0701	0.1745	0.1706	0.0708	0.1509	-0.0964	-0.2124	-0.2	0.2104	0.1242	0.0014	0.4566	0.0531	-0.0358	0.4555	0.0572	0.6202	-58.2042	8.2471	4.0978
8	2.1849	0.1757	-0.888	2.0127	-0.6558	0.3644	-0.0886	-0.4885	-0.0562	0.0901	0.0597	-0.1336	-0.0313	-0.1436	0.0002	0.5853	0.0611	0.0115	0.5332	0.0007	0.4796	-57.1639	0.2051	14.2426
9	0.3673	-0.1704	0.6148	-0.3814	-0.5127	0.8817	0.3716	0.0113	-0.584	0.039	-0.0409	0.1003	0.0256	-0.2765	-0.001	0.5859	0.043	-0.0611	0.5902	-0.0057	0.4904	-75.7426	10.7225	7.8046
10	-0.9648	0.599	-0.1875	1.3872	0.3701	0.5339	-0.1148	0.0511	0.1386	-0.0455	-0.0514	-0.2096	0.3748	-0.467	-0.0003	0.3206	0.0264	-0.0097	0.5421	-0.0304	0.6514	-104.8868	53.98	-10.8625
11	-0.3102	0.9729	-0.0466	1.0017	-0.8719	0.1453	-0.4714	-0.1198	0.1511	0.3047	0.1936	-0.5663	-0.2598	-0.2328	-0.0001	0.5844	0.0718	-0.011	0.4754	0.0326	0.5168	-96.3372	46.4778	-3.9183
12	0.2446	-0.3796	-1.0676	0.907	1.1457	0.5836	-0.1364	-0.3545	0.0495	1.0401	-0.0695	0.6647	-0.4781	0.2977	-0.0013	0.4499	0.013	-0.132	0.6653	-0.0081	0.6099	-109.0041	48.3593	-3.2856
13	0.6559	-0.2626	0.6012	0.8761	0.3579	0.2954	-0.2644	-0.1084	0.0577	-0.1423	0.6957	0.3665	0.1896	-0.0387	0.008	0.4593	-0.0928	0.0277	0.4788	0.0554	0.5123	-104.8324	44.089	-17.6822
14	0.841	0.1403	-0.9758	0.1553	-0.8237	0.2888	-0.0526	0.0482	-0.0083	-0.4194	-0.3855	-1.1047	0.1041	-0.3491	-0.0022	0.6761	-0.0683	-0.0152	0.6232	0.014	0.4848	-95.7661	40.6865	-16.5568
15	0.6257	0.4366	-2.1047	0.9461	-1.6138	6.2055	1.4222	0.3711	0.3518	0.4374	-0.1396	0.6789	-3.0433	-0.4417	0.5094	0.1673	0.3594	-0.1094	0.5373	-0.1177	0.4981	-92.0878	23.7955	-0.7482
16	-0.3755	-0.2565	-0.5547	1.6461	0.235	0.1695	-0.198	0.035	-0.0197	0.1979	0.3064	0.253	-0.0373	-0.4359	0.0007	0.2582	-0.0132	-0.0233	0.5284	-0.0177	0.5275	-104.8039	50.7246	11.094
17	0.7814	-1.1535	0.253	0.8976	-0.1	0.2984	-0.42	-0.0985	-0.0853	-0.1272	-0.1802	-0.8938	0.0265	0.1347	-0.0001	0.4813	0.0764	0.0249	0.5024	0.0417	0.5242	-96.4241	58.1639	4.0561
18	0.0353	-0.7293	0.3979	0.8556	0.3917	0.8805	-0.0538	0.0167	-0.1015	0.2969	-0.0906	-0.1934	-0.0484	-0.1062	-0.0003	0.492	-0.0428	0.0441	0.6653	-0.0357	0.6425	-104.4465	57.2352	14.1997
19	-0.254	0.3065	0.3028	-0.0725	-0.0678	0.9732	-0.1342	0.2509	0.1377	0.671	0.2058	-0.2801	-0.2086	0.2494	0.0004	0.5288	0.0039	0.0304	0.3751	0.0239	0.4111	-93.9722	75.8336	7.7865
20	1.0846	-0.9782	-0.3412	-1.2434	0.9703	0.7767	0.9508	-0.3901	0.7284	0.6681	-0.3752	0.0654	-0.6363	0.2803	0.1395	0.5145	-0.0133	0.0624	0.5273	0.0432	0.3623	-124.6191	38.1169	-39.0192
21	1.2148	-0.8904	0.3775	0.1435	-0.8238	-0.1917	-0.1837	0.4594	-0.4097	0.1077	0.1058	0.1514	0.3198	-0.2212	-0.0019	0.3014	-0.106	0.0142	0.3302	-0.1126	0.4524	-141.0306	40.7394	-37.6036
22	1.118	-0.3576	-0.6731	-0.1865	0.5545	1.2347	0.0495	0.0593	0.0224	-0.1584	-0.0244	-0.0037	0.2029	-0.1967	-0	0.5263	-0.0587	-0.0123	0.5112	-0.0106	0.5413	-128.3973	43.7591	-33.5542
23	0.3894	-0.479	-1.0258	-0.4045	0.0742	-0.3275	-0.5225	0.065	0.0228	0.049	0.3099	0.0906	-0.0614	0.0572	0.0007	0.452	-0.1337	0.0245	0.575	0.0092	0.532	-147.3641	53.848	-27.8456
24	-0.0297	-0.6606	-0.1091	0.585	-0.618	0.1746	-0.3046	-0.6581	-0.5378	-0.1268	0.0003	-0.0598	-0.1247	0.4147	-0.0019	0.4402	-0.0615	0.0778	0.5532	0.028	0.3494	-144.929	24.138	-34.8875
25	5.4219	-0.8282	0.4564	0.2132	-0.2566	0.1382	1.2805	2.3518	1.9137	0.5441	-1.2593	0.9025	-0.4981	-1.3167	-0.061	0.7166	-0.1769	-0.1165	0.6488	-0.1462	0.554	-122.9346	30.0604	-55.0344
26	-0.241	0.2342	-0.5244	0.9249	0.5077	0.2041	0.2698	0.3694	0.3095	0.142	0.3035	-0.0342	-0.5852	-0.092	0.0145	0.5694	0.0184	0.0111	0.5303	0.0284	0.4464	-143.012	29.4655	-45.4937
27	1.4954	1.0671	-0.7557	0.3446	-0.0177	2.121	-0.0168	-0.692	-0.7636	-0.112	-0.2531	0.6816	-0.5312	0.6635	-0.0137	0.4437	-0.0089	0.0922	0.4646	0.0221	0.7118	-140.3342	25.5825	-31.7762
28	0.9932	-0.5797	-0.0188	0.939	0.2477	-0.4176	-0.0922	-1.0358	-0.1825	-0.114	-0.1066	-0.0749	0.3175	0.1474	-0.0002	0.5193	-0.0043	0.0422	0.5825	0.0309	0.4563	-139.1141	15.7727	-44.6529
29	0.1745	-0.7955	-0.3627	0.9419	0.6022	0.3081	-0.3992	0.1085	-0.2951	-0.0544	0.2238	0.1717	-0.0489	-0.8036	-0.0045	0.6352	0.0088	0.0502	0.6615	-0.0166	0.8048	-157.3431	19.1589	-39.1006
30	0.4699	0.355	-0.853	0.0088	0.1818	-0.0096	1.2032	0.8474	0.2794	-0.1202	-0.2974	-0.5087	-0.9103	-0.5102	0.0167	0.5198	-0.0522	0.0499	0.7877	-0.0545	0.6118	-140.7671	16.604	-56.4572
31	3.7495	6.0927	1.6437	2.0075	3.0854	1.0594	0.2872	-0.7806	-0.6806	1.4786	-0.6036	-2.017	0.6421	-0.2838	0.1678	0.6936	0.0248	-0.0856	1.086	0.3192	0.958	-123.0643	14.9937	-66.7474
32	3.6044	2.3172	0.6507	3.3754	0.1596	0.2934	0.7298	-1.3459	0.7427	-0.5812	-1.9317	0.4012	-0.8081	0.3557	-0.2264	0.4181	0.0038	-0.0048	0.672	-0.1676	0.1529	-130.4891	25.2974	-65.5008
33	1.2053	0.8834	-0.9152	-0.3181	0.5595	0.0037	0.402	0.2135	0.0785	-0.1178	-0.2424	0.0312	0.1785	0.2641	0.0131	0.4945	0.0166	-0.0014	0.4301	0.0367	0.4678	-19.8845	-37.8776	39.0561
34	1.1886	0.644	-0.4632	0.1627	-0.5419	0.4834	0.5531	-0.4657	0.4463	0.0447	-0.411	0.1481	0.3729	-0.3945	0.0008	0.4494	0.057	0.0145	0.4484	-0.0707	0.6393	-36.2877	-40.556	37.6634
35	0.2862	-0.3298	0.3891	-0.7217	0.5101	2.6507	-0.0916	-0.1306	-0.0466	0.004	0.1488	0.0183	-0.1239	-0.0211	0.0009	0.4167	-0.0824	-0.0722	0.4646	0.0654	0.5684	-23.6918	-43.6167	33.5758
36	1.0683	1.7747	1.3123	0.5064	-0.0772	-0.3036	0.0129	0.2351	0.335	-0.0695	0.0358	0.1269	-0.0275	0.1697	-0.0003	0.3738	-0.001	-0.0242	0.4348	0.0145	0.4758	-42.6782	-53.5196	27.9144
37	1.4203	0.4622	0.0851	-0.3065	0.664	0.6671	0.0236	0.4456	0.4957	-0.0939	-0.112	-0.2055	0.3387	0.17	-0.0011	0.5185	-0.0587	-0.0223	0.3934	0.1213	0.481	-36.2994	-24.9996	38.599
38	0.7622	-0.1081	0.8029	-0.5982	-0.0022	0.1392	0.522	-0.4337	0.4641	0.0149	-0.3272	0.0185	1.0572	-0.4326	0.0026	0.7097	0.0015	-0.1247	0.5264	0.026	0.4827	-39.0975	-29.1403	44.9411
39	-0.0768	0.3036	0.1152	0.178	0.9443	0.7574	-0.1438	-0.2406	-0.4284	-0.3893	0.1816	0.0305	-0.4825	0.1981	0.0096	0.5972	-0.0479	-0.0826	0.6215	-0.0267	0.8708	-29.3564	-24.4182	36.8713
40	2.5355	0.5638	0.1224	0.7851	0.8868	-0.197	0.2239	0.1876	0.058	-0.1613	-0.1588	-0.1561	0.0541	-0.0764	0.001	0.4361	0.0099	-0.006	0.4617	0.0554	0.4321	-40.8295	-16.2581	46.9095
41	0.3722	-0.3518	0.0059	0.3096	0.4592	0.1174	0.2807	0.8991	-0.5254	-0.7679	-0.243	-1.2374	0.0031	-0.1192	0.0008	0.4581	0.0243	-0.0213	0.6133	0.0937	0.5014	-23.4734	-22.0404	66.0343
42	0.8359	0.0561	0.9997	0.4906	0.4902	0.5316	0.1353	0.0669	0.0946	0.4799	-0.4081	0.0137	-0.3223	0.2	-0.0012	0.4418	0.0356	0.0518	0.3859	-0.0577	0.3321	-129.8253	78.3012	-38.5714
43	0.1659	-0.7178	1.0285	-0.1543	-1.9027	0.2195	0.1475	0.0301	-0.189	-0.0055	0.2131	0.0577	-0.1713	-0.2286	-0.0015	0.6352	0.0565	-0.021	0.5979	-0.013	0.6172	-133.805	74.7038	-42.477
44	0.752	0.5674	-0.4624	1.0413	-0.3599	-0.6845	-0.0952	-0.059	-0.0857	0.1879	0.0013	-0.3819	0.1789	-0.0508	-0.0006	0.5015	-0.0021	0.0031	0.4583	0.0331	0.4708	-122.3116	76.9486	-45.4914
45	0.0796	-0.2084	0.2479	1.3732	0.4611	0.6872	-0.6085	0.2195	-0.1961	1.8593	0.7015	0.4437	0.0008	0.0549	0.0202	0.4656	0.021	-0.0684	0.4194	-0.0529	0.402	-126.8269	91.0369	-65.8065
46	0.0548	1.1595	-1.1871	0.4212	-0.0298	-0.0266	-0.0557	-0.0788	-0.2799	0.4196	0.2301	0.1821	-0.0377	-0.2261	0.0067	0.4685	-0.0477	-0.04	0.355	-0.0644	0.4062	-142.6575	92.1166	-38.1053
47	1.2101	0.3861	0.0597	0.6798	-0.1777	-0.3372	-0.163	-0.0058	-0.0188	0.0952	0.2954	0.1304	-0.1443	0.0256	0.0005	0.5365	0.0013	0.011	0.511	-0.0914	0.3926	-143.5076	82.4984	-38.7952
48	0.121	0.9435	0.8208	0.7329	0.8634	0.0786	0.1724	0.2152	0.137	0.1335	-0.4373	-0.4385	-0.0761	0.2983	0.0021	0.3256	0.0873	0.11	0.5612	-0.027	0.4974	-149.6364	88.4351	-29.0542
49	-0.6078	0.3499	0.4173	0.4328	-2.2927	0.1477	0.0685	0.0267	-0.0388	-0.2519	-0.0852	-0.1392	0.0322	0.2038	0.0001	0.6206	0.028	-0.0197	0.471	0.025	0.5631	-157.5206	77.832	-31.7995
50	-0.6617	-1.1694	-1.0178	-0.0949	1.0679	1.248	0.0108	-0.184	0.0717	-0.3593	-0.0667	0.0579	-0.3287	0.0102	0.0006	0.5707	-0.0008	-0.094	0.4017	0.0056	0.5388	-89.4477	-36.1535	38.6676
51	0.283	-0.0319	1.438	-0.0558	1.8649	-0.207	0.0139	-0.0537	0.0738	0.6714	0.2536	-0.0335	0.7895	0.3788	0.0042	0.6267	-0.0549	0.0624	0.6384	0.0102	0.4619	-85.3509	-39.0198	44.9808
52	1.0996	-0.111	-1.1942	0.335	0.5428	0.4712	-0.0887	0.4606	0.0884	-0.0705	0.1011	0.3671	-0.0313	-0.0442	-0.0241	0.2992	0.0472	-0.0144	0.4722	-0.0227	0.5443	-90.0965	-29.3252	37.0748
53	0.6946	1.0552	0.3905	1.6223	1.0979	-0.9294	-0.1839	-0.0317	-0.0202	-0.0782	0.1239	0.3036	0.2221	0.0202	0.0007	0.6413	-0.0105	0.0142	0.4957	-0.0199	0.4757	-98.2699	-40.7423	46.9329
54	0.4862	0.4142	-0.5658	0.2932	0.0782	0.3415	-0.4476	-0.2713	1.2456	-1.1659	0.6992	-0.5168	0.1652	0.3723	0.0142	0.6517	-0.0194	-0.0309	0.434	0.0726	0.6273	-92.3668	-23.4974	65.9841
55	1.0704	-0.344	0.4143	0.4468	-0.0109	-0.3169	-0.2868	-0.0703	-0.0433	-0.3137	0.1712	0.5705	-0.219	0.1542	-0.0015	0.3662	-0.0409	0.0906	0.3288	0.0358	0.3407	-76.702	-26.6723	36.4043
56	0.5855	-0.4224	-2.8707	0.8358	0.5625	0.9579	-0.1135	0.3692	-0.2939	-0.0182	0.0701	0.1893	-0.3882	0.1922	-0.0028	0.5221	-0.004	-0.1076	0.4451	-0.0318	0.498	-75.5906	-28.8072	40.8367
57	0.3396	-1.6037	-0.4104	1.5579	0.1339	0.6311	-0.0922	-0.2815	0.0394	-0.2608	0.3306	-0.028	-0.0445	0.1376	0.002	0.4998	-0.0203	-0.0037	0.4605	0.0082	0.5545	-68.4572	-24.2425	32.5974
58	-0.4453	-0.3811	0.5571	0.5864	1.5556	-0.918	0.0929	-0.1742	-0.0599	-0.0455	-0.0943	0.4619	-0.1567	0.2215	0.0003	0.6305	-0.0217	-0.0148	0.4785	-0.0528	0.5688	-61.0315	-42.4196	27.7892

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 5 through 48 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 49 through 86 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 87 through 126 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 127 through 157 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 158 through 176 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 5 through 41 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 42 through 76 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 77 through 137 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 138 through 176 )
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 5 through 41 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 42 through 76 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 77 through 95 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 96 through 126 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 127 through 158 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 159 through 176 )
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 5 through 41 )
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 42 through 76 )
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 77 through 137 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 138 through 176 )
20	X-RAY DIFFRACTION	20	chain 'E' and (resid 5 through 38 )
21	X-RAY DIFFRACTION	21	chain 'E' and (resid 39 through 76 )
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 77 through 137 )
23	X-RAY DIFFRACTION	23	chain 'E' and (resid 138 through 176 )
24	X-RAY DIFFRACTION	24	chain 'F' and (resid 5 through 40 )
25	X-RAY DIFFRACTION	25	chain 'F' and (resid 41 through 48 )
26	X-RAY DIFFRACTION	26	chain 'F' and (resid 49 through 75 )
27	X-RAY DIFFRACTION	27	chain 'F' and (resid 76 through 90 )
28	X-RAY DIFFRACTION	28	chain 'F' and (resid 91 through 123 )
29	X-RAY DIFFRACTION	29	chain 'F' and (resid 124 through 137 )
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 138 through 157 )
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 158 through 164 )
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 165 through 176 )
33	X-RAY DIFFRACTION	33	chain 'G' and (resid 5 through 38 )
34	X-RAY DIFFRACTION	34	chain 'G' and (resid 39 through 76 )
35	X-RAY DIFFRACTION	35	chain 'G' and (resid 77 through 137 )
36	X-RAY DIFFRACTION	36	chain 'G' and (resid 138 through 176 )
37	X-RAY DIFFRACTION	37	chain 'H' and (resid 5 through 48 )
38	X-RAY DIFFRACTION	38	chain 'H' and (resid 49 through 76 )
39	X-RAY DIFFRACTION	39	chain 'H' and (resid 77 through 95 )
40	X-RAY DIFFRACTION	40	chain 'H' and (resid 96 through 157 )
41	X-RAY DIFFRACTION	41	chain 'H' and (resid 158 through 176 )
42	X-RAY DIFFRACTION	42	chain 'I' and (resid 5 through 48 )
43	X-RAY DIFFRACTION	43	chain 'I' and (resid 49 through 81 )
44	X-RAY DIFFRACTION	44	chain 'I' and (resid 82 through 157 )
45	X-RAY DIFFRACTION	45	chain 'I' and (resid 158 through 176 )
46	X-RAY DIFFRACTION	46	chain 'J' and (resid 5 through 41 )
47	X-RAY DIFFRACTION	47	chain 'J' and (resid 42 through 86 )
48	X-RAY DIFFRACTION	48	chain 'J' and (resid 87 through 126 )
49	X-RAY DIFFRACTION	49	chain 'J' and (resid 127 through 176 )
50	X-RAY DIFFRACTION	50	chain 'K' and (resid 5 through 48 )
51	X-RAY DIFFRACTION	51	chain 'K' and (resid 49 through 76 )
52	X-RAY DIFFRACTION	52	chain 'K' and (resid 77 through 95 )
53	X-RAY DIFFRACTION	53	chain 'K' and (resid 96 through 157 )
54	X-RAY DIFFRACTION	54	chain 'K' and (resid 158 through 176 )
55	X-RAY DIFFRACTION	55	chain 'L' and (resid 5 through 48 )
56	X-RAY DIFFRACTION	56	chain 'L' and (resid 49 through 86 )
57	X-RAY DIFFRACTION	57	chain 'L' and (resid 87 through 137 )
58	X-RAY DIFFRACTION	58	chain 'L' and (resid 138 through 176 )

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