PDB-5dzn: human T-cell immunoglobulin and mucin domain protein 4

Basic information

• Entry: Database: PDB / ID: 5dzn
• Title: human T-cell immunoglobulin and mucin domain protein 4
• Components: T-cell immunoglobulin and mucin domain-containing protein 4
• Keywords: IMMUNE SYSTEM / receptor / Ig V domain

Function / homology

Function:

cytoskeletal rearrangement involved in phagocytosis, engulfment / apoptotic cell clearance / phosphatidylserine binding / extracellular region / plasma membrane

Domain/homology:

Immunoglobulin V-set domain / Immunoglobulin V-set domain / Immunoglobulin subtype / Immunoglobulin / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulins / Immunoglobulin-like fold / Immunoglobulin-like / Sandwich / Mainly Beta

Component:

T-cell immunoglobulin and mucin domain-containing protein 4

• Biological species: Homo sapiens (human)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å
• Authors: Yuan, S. / Rao, Z. / Wang, X.

Funding support

China, 2items

Organization	Grant number	Country
National Science Foundation	81330036	China
National Science Foundation	31570717	China

• Citation: Journal: Protein Cell / Year: 2015; Title: TIM-1 acts a dual-attachment receptor for Ebolavirus by interacting directly with viral GP and the PS on the viral envelope.; Authors: Yuan, S. / Cao, L. / Ling, H. / Dang, M. / Sun, Y. / Zhang, X. / Chen, Y. / Zhang, L. / Su, D. / Wang, X. / Rao, Z.

History

Deposition	Sep 25, 2015	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Nov 25, 2015	Provider: repository / Type: Initial release
Revision 1.1	Feb 10, 2016	Group: Database references / Derived calculations

Assembly

Deposited unit

A: T-cell immunoglobulin and mucin domain-containing protein 4

B: T-cell immunoglobulin and mucin domain-containing protein 4

C: T-cell immunoglobulin and mucin domain-containing protein 4

D: T-cell immunoglobulin and mucin domain-containing protein 4

E: T-cell immunoglobulin and mucin domain-containing protein 4

F: T-cell immunoglobulin and mucin domain-containing protein 4

G: T-cell immunoglobulin and mucin domain-containing protein 4

H: T-cell immunoglobulin and mucin domain-containing protein 4

Summary:

• 102 kDa, 8 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	102,293	8
Polymers	102,293	8
Non-polymers	0	0
Water	6,215	345

1

Summary:

• Idetical with deposited unit
• defined by author

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	7930 Å2
ΔGint	-21 kcal/mol
Surface area	48140 Å2

Unit cell

Length a, b, c (Å)	100.400, 107.297, 115.649
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P212121

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	chain A
2	1	chain B
3	1	chain C
4	1	chain D
5	1	chain E
6	1	chain F
7	1	chain G
8	1	chain H

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details	Auth asym-ID	Auth seq-ID
1	1	1	chain A	A	0
2	1	1	chain B	B	0
3	1	1	chain C	C	0
4	1	1	chain D	D	0
5	1	1	chain E	E	0
6	1	1	chain F	F	0
7	1	1	chain G	G	0
8	1	1	chain H	H	0

Components

#1: Protein

A B C D E F G H
T-cell immunoglobulin and mucin domain-containing protein 4 / TIMD-4 / T-cell immunoglobulin mucin receptor 4 / TIM-4 / T-cell membrane protein 4

Details:

Mass: 12786.616 Da / Num. of mol.: 8 / Fragment: UNP RESIDUES 22-134
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TIMD4, TIM4 / Production host: Escherichia coli (E. coli) / References: UniProt: Q96H15

#2: Water

ChemComp-HOH / water

Details:

Mass: 18.015 Da / Num. of mol.: 345 / Source method: isolated from a natural source / Formula: H₂O

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 3.04 ų/Da / Density % sol: 59.6 %
• Crystal grow: Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 5 ; Details: 20% (w/v) PEG 6000, 100 mM citric acid/sodium hydroxide, pH 5.0

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 1 Å
• Detector: Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Sep 6, 2014
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 1 Å / Relative weight: 1
• Reflection: Resolution: 2.3→50 Å / Num. obs: 57162 / % possible obs: 100 % / Redundancy: 6.5 % / R_merge(I) obs: 0.101 / R_pim(I) all: 0.043 / R_rim(I) all: 0.11 / Χ²: 0.833 / Net I/av σ(I): 16.632 / Net I/σ(I): 4.9 / Num. measured all: 373065

Reflection shell

Diffraction-ID: 1 / Rejects: _ / % possible all: 100

Resolution (Å)	Redundancy (%)	Rmerge(I) obs	Num. unique all	CC1/2	Rpim(I) all	Rrim(I) all	Χ2
2.3-2.38	6.3	0.695	5638	0.794	0.3	0.758	0.485
2.38-2.48	6.6	0.494	5633	0.882	0.206	0.536	0.519
2.48-2.59	6.5	0.363	5653	0.929	0.153	0.394	0.56
2.59-2.73	6.4	0.284	5647	0.954	0.121	0.309	0.627
2.73-2.9	6.7	0.209	5665	0.971	0.087	0.227	0.769
2.9-3.12	6.6	0.163	5656	0.982	0.068	0.177	0.937
3.12-3.44	6.7	0.123	5724	0.988	0.051	0.133	1.054
3.44-3.93	6.5	0.115	5726	0.989	0.049	0.125	1.137
3.93-4.95	6.6	0.076	5796	0.996	0.032	0.082	1.097
4.95-50	6.3	0.054	6024	0.995	0.024	0.059	1.1

Processing

Software

Name	Version	Classification
HKL-2000		data scaling
PHENIX	1.9_1692	refinement
PDB_EXTRACT	3.15	data extraction

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.3→48.667 Å / SU ML: 0.3 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 25.16 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.2378	2724	4.77 %
Rwork	0.2001	54362	-
obs	0.2019	57086	99.34 %

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
• Displacement parameters: B_iso max: 150.55 Ų / B_iso mean: 59.8255 Ų / B_iso min: 26.73 Ų

Refinement step

Cycle: final / Resolution: 2.3→48.667 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7103	0	0	345	7448
Biso mean	-	-	-	53.24	-
Num. residues	-	-	-	-	911

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.009	7263
X-RAY DIFFRACTION	f_angle_d	1.454	9811
X-RAY DIFFRACTION	f_chiral_restr	0.061	1111
X-RAY DIFFRACTION	f_plane_restr	0.007	1245
X-RAY DIFFRACTION	f_dihedral_angle_d	15.732	2693

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Rms	Type
1	1	A	4348	X-RAY DIFFRACTION	17.414	TORSIONAL
1	2	B	4348	X-RAY DIFFRACTION	17.414	TORSIONAL
1	3	C	4348	X-RAY DIFFRACTION	17.414	TORSIONAL
1	4	D	4348	X-RAY DIFFRACTION	17.414	TORSIONAL
1	5	E	4348	X-RAY DIFFRACTION	17.414	TORSIONAL
1	6	F	4348	X-RAY DIFFRACTION	17.414	TORSIONAL
1	7	G	4348	X-RAY DIFFRACTION	17.414	TORSIONAL
1	8	H	4348	X-RAY DIFFRACTION	17.414	TORSIONAL

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 19

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Num. reflection all	% reflection obs (%)
2.2818-2.3233	0.3244	126	0.262	2476	2602	88
2.3233-2.3679	0.3367	147	0.2679	2817	2964	100
2.3679-2.4163	0.3097	130	0.2467	2856	2986	100
2.4163-2.4688	0.2907	143	0.2468	2859	3002	100
2.4688-2.5262	0.2803	148	0.2383	2835	2983	100
2.5262-2.5894	0.2846	134	0.2425	2842	2976	100
2.5894-2.6594	0.292	145	0.2446	2860	3005	100
2.6594-2.7377	0.3026	145	0.24	2849	2994	100
2.7377-2.826	0.292	149	0.2377	2875	3024	100
2.826-2.927	0.3203	132	0.2464	2849	2981	100
2.927-3.0442	0.2662	156	0.2439	2879	3035	100
3.0442-3.1827	0.2834	130	0.2428	2861	2991	100
3.1827-3.3505	0.2595	127	0.23	2907	3034	100
3.3505-3.5603	0.217	127	0.215	2892	3019	100
3.5603-3.8351	0.2572	134	0.2013	2903	3037	100
3.8351-4.2209	0.2104	130	0.172	2917	3047	100
4.2209-4.8312	0.1694	173	0.1394	2895	3068	100
4.8312-6.0849	0.1893	178	0.1441	2934	3112	100
6.0849-48.6781	0.2267	170	0.1894	3056	3226	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	4.2636	-0.5513	-0.7994	3.6253	1.1334	1.9954	-0.0808	-0.6163	0.5021	0.1781	0.0317	-0.2488	0.1111	0.0628	-0.0104	0.2654	0.0337	-0.0722	0.3722	-0.0258	0.3882	-9.6613	-22.9392	10.6199
2	6.1378	0.1016	2.1639	3.2964	1.0421	3.0848	0.01	-0.6038	-0.3997	0.1076	0.1087	0.309	0.1333	0.0164	-0.0374	0.2976	-0.0435	-0.0228	0.4625	0.0667	0.4045	-20.3697	-29.3492	13.2314
3	4.0871	-2.9204	0.3122	5.1376	-0.5322	3.1347	-0.2334	-0.5308	0.1484	0.4778	0.1736	-0.7553	-0.0097	0.1026	0.0483	0.349	-0.0412	-0.0855	0.5503	0.0403	0.3989	-9.9378	-28.6627	17.6553
4	7.5128	-5.0337	0.3848	5.5499	-0.5161	0.8231	-0.1744	0.1621	-0.2068	0.1193	0.2208	0.1174	-0.0804	-0.002	-0.0179	0.2656	-0.0125	0.0385	0.3946	0.0049	0.4338	-20.6283	-23.2302	4.3406
5	2.224	-2.665	1.4265	7.0152	-2.1125	7.4585	-0.3337	0.2882	-0.9123	0.9261	0.1269	0.3911	0.2142	0.833	-0.0217	0.362	-0.0099	0.0285	0.4514	0.0676	0.3876	-3.7862	-30.4566	7.7163
6	4.593	0.9417	-1.6377	1.8397	-0.8414	5.8953	-0.0574	0.1458	-0.0404	-0.4399	-0.0737	-0.2468	0.0615	0.4624	0.1779	0.3772	0.0289	0.0103	0.3498	0.0501	0.3526	-17.1046	-7.1311	-21.0368
7	4.7992	-0.8855	0.081	3.9274	-0.1945	4.1298	0.2343	-0.0112	-1.1817	-0.5141	-0.5301	0.1655	0.8486	0.3913	0.2999	0.6371	0.0617	0.0134	0.3598	0.0264	0.4238	-19.8782	-16.6529	-27.2684
8	7.6355	-3.7047	-0.6565	2.6189	0.4994	0.1013	-0.3551	0.2421	-0.1463	-0.1894	0.1049	0.5141	0.7979	-0.0936	0.3803	1.1496	-0.0654	0.0464	0.4994	0.1089	0.4427	-22.0805	-12.018	-34.7589
9	6.5159	-1.95	-0.5947	7.1331	-1.0644	6.1204	0.08	-0.2791	0.1879	-0.789	-0.0897	-0.2078	0.0264	0.2159	-0.1652	0.4464	-0.0381	0.0415	0.3774	0.0361	0.3134	-19.5867	-3.7046	-28.5183
10	8.0942	0.2573	3.1536	3.1018	-2.7083	3.8339	0.9308	0.3071	-0.9286	-0.8218	-0.5313	0.5748	0.7473	0.406	-0.538	0.5089	0.0277	-0.0552	0.4062	-0.0576	0.3971	-17.1176	-18.5417	-18.5656
11	8.2658	-3.1385	0.7858	9.2683	0.8918	5.6235	-0.1476	-0.5563	0.2632	-0.0422	0.6414	1.0332	-0.5744	-0.6076	-0.3555	0.4092	0.0874	0.0904	0.4007	0.112	0.3031	-24.7621	-2.4939	-17.8501
12	1.9462	-0.6773	-0.7386	1.7365	1.1235	3.1881	-0.1921	0.1553	-0.0015	-0.1119	0.0964	-0.3301	0.2238	0.0904	0.2163	0.5809	-0.0378	0.0213	0.2686	0.0544	0.4739	0.6647	15.4694	-13.2617
13	4.8531	0.5626	0.2133	4.7463	1.5125	6.2945	-0.2763	0.3753	0.3634	-0.6073	-0.201	0.1915	-0.153	-0.3295	0.329	0.545	-0.059	-0.0151	0.3671	0.072	0.4405	-5.7348	20.2446	-22.4951
14	9.1302	5.1523	1.1111	6.7551	3.2281	3.103	-0.4809	1.1363	1.0356	-0.2983	-0.0749	-0.0876	-0.8767	0.5561	0.8677	0.9724	-0.3066	0.0606	0.5727	0.1544	0.5458	2.3318	24.5004	-29.652
15	3.8585	2.3852	0.2372	3.6054	-0.1499	2.2526	-0.2878	0.2906	0.5017	-0.0941	0.1352	0.0696	-0.3378	0.198	0.1352	0.5887	-0.0542	0.0345	0.2702	0.0334	0.4448	-0.8781	18.7974	-18.0002
16	5.2255	0.1831	0.1866	4.5861	-1.1226	3.4525	-0.4571	-0.5529	0.8019	0.2263	0.2437	-0.7183	-0.609	0.1645	0.3006	0.5323	-0.0444	-0.0039	0.3003	-0.0917	0.6063	1.6165	23.3432	-6.9708
17	3.1415	-0.9817	-1.2654	3.2153	1.1914	3.522	-0.0978	-0.0788	0.3855	-0.1387	-0.0514	-0.2597	-0.543	-0.0495	0.0858	0.3418	0.0412	-0.0756	0.4091	-0.0246	0.5619	17.9417	-4.5161	5.5361
18	9.6732	-7.357	0.817	5.8455	-1.7536	4.3649	-0.4801	-0.1766	-0.3805	0.6036	0.1135	0.0066	-0.0499	-0.0102	0.4505	0.3361	-0.0248	-0.0117	0.393	0.0121	0.4341	27.7551	-12.0008	-3.0492
19	6.1836	-1.3876	1.1833	5.9566	-1.444	5.5024	0.036	0.6428	0.9631	-0.5429	-0.0893	-0.2067	-0.8454	-0.6234	0.1438	0.5821	0.0858	-0.0291	0.4925	0.0748	0.5165	18.6742	5.0887	-10.0433
20	1.532	0.1295	-0.765	2.8156	-4.4045	7.1003	0.474	-0.3874	1.0933	0.7359	-0.1798	-0.93	-1.4721	1.134	-0.3208	0.7004	-0.1073	0.0839	0.4698	-0.0262	0.9174	27.6466	9.8807	-1.0864
21	2.3799	-0.8445	-1.5954	4.997	-1.6981	5.107	0.3072	0.609	0.311	-0.8437	-0.246	-0.5732	-0.3597	0.432	-0.0326	0.5903	-0.0072	0.1143	0.5018	-0.0465	0.5343	26.7386	1.0382	-12.883
22	9.7065	-1.9372	0.3895	7.6346	1.8754	7.2664	0.1859	-0.6843	1.179	0.5443	-0.1695	-0.625	0.8487	-0.0176	-0.2076	0.3701	-0.0703	-0.0232	0.3827	-0.103	0.6273	31.8451	-7.8167	-0.3148
23	7.658	-5.5958	2.9408	4.144	-2.7535	2.9112	-0.003	0.1657	1.6105	-0.2002	-0.4997	-1.4337	-0.2801	-0.0976	0.332	0.573	0.0015	-0.0201	0.4243	0.0252	0.7481	18.6205	10.4356	-3.0254
24	6.1445	-3.6881	0.1368	8.7688	-2.2846	6.1429	-0.5588	-1.2249	0.1343	0.5138	0.9057	-0.7415	0.3991	0.1114	-0.4224	0.3519	0.0572	-0.0864	0.4695	-0.0605	0.3523	23.2589	-6.2534	4.3009
25	0.9772	-0.5941	-1.9285	3.481	0.2695	3.8307	0.0733	0.319	0.0685	-0.3019	0.0164	0.3685	-0.0582	-0.1822	-0.0816	0.249	0.0066	-0.1025	0.4015	0.0177	0.428	-4.4899	-29.2259	-8.7823
26	6.0224	0.4149	1.2482	2.8569	-1.3136	2.8976	0.0028	0.6475	0.0875	-0.183	0.0225	-0.2031	0.0309	0.1074	0.0058	0.2841	0.0588	-0.0013	0.467	-0.014	0.3259	11.1889	-27.4759	-14.02
27	5.5356	2.5154	-0.6483	4.8803	-0.9902	3.1743	-0.2875	0.4925	0.0347	-0.337	0.3305	0.1287	0.1534	-0.1808	-0.0871	0.2808	0.0433	-0.0174	0.4206	-0.0047	0.3157	1.4018	-30.6283	-15.9183
28	6.1218	4.1745	0.6117	6.0317	0.2631	1.1455	-0.0198	-0.024	-0.1002	-0.0727	0.1423	-0.3744	-0.2522	-0.2791	-0.1356	0.2228	0.0436	0.0274	0.3659	0.0308	0.411	13.1468	-23.6326	-4.6549
29	2.5071	-0.4248	-1.5387	5.8163	0.7366	4.5114	0.0746	-0.3126	-0.035	0.293	-0.1403	0.4018	0.5467	-0.2403	-0.0176	0.2258	0.0442	-0.0153	0.269	0.0116	0.2894	-3.9128	-31.0624	-7.1074
30	4.9291	4.5584	-1.9802	4.1709	-2.0547	3.9257	0.0961	0.2174	0.2691	0.2935	0.0458	0.0719	-0.3468	-0.2111	-0.1439	0.3128	-0.007	0.0882	0.3188	-0.0247	0.3922	-25.4372	-5.4448	-7.9702
31	7.8492	5.4049	0.5935	4.4692	-0.0974	4.3202	-0.1295	0.1914	-0.2904	0.7465	0.2667	0.1823	-0.023	-0.5984	0.1969	0.3122	-0.0015	0.0078	0.4234	-0.0106	0.3899	-35.3816	-11.9511	1.1129
32	3.8038	0.6016	-0.197	3.8237	-0.816	4.0931	0.1503	-0.1278	0.4777	0.2942	-0.1497	-0.1839	-0.7842	0.0353	0.0581	0.4583	0.0054	-0.0056	0.3284	-0.0065	0.3569	-26.8483	5.9109	6.5482
33	9.1077	-5.3559	-5.4083	3.3141	3.0032	3.698	0.5959	0.4658	1.9876	-1.0074	0.3196	-0.6647	-0.1086	-1.3195	-0.6844	0.8611	0.1115	-0.1085	0.5072	0.0118	0.6336	-35.0783	10.3744	-4.0516
34	9.6295	3.8189	2.5333	7.6049	5.871	4.5933	-0.5401	-0.2391	1.2478	0.0177	-0.8788	0.872	-0.389	0.2218	1.2487	0.4201	0.0918	0.0686	0.4819	0.004	0.4088	-35.2342	6.7581	9.0027
35	0.4309	1.7557	0.7112	8.1295	4.9818	4.7442	-0.4549	-0.0842	-0.1492	0.6014	-0.6049	1.1927	0.1403	-1.4672	1.0283	0.5326	0.0595	0.2233	0.8277	-0.0294	0.6568	-41.4984	0.362	6.4174
36	2.4942	3.4686	2.3684	4.8514	3.4974	2.9138	0.0036	-0.2782	-0.757	0.1861	0.2213	-0.7425	-0.1589	0.4239	0.1302	0.5207	0.0029	0.0032	0.3966	0.1122	0.352	-27.8406	-0.5353	11.1983
37	8.0286	1.2967	1.7882	6.2499	-1.5318	7.4565	0.2515	-0.1566	0.0199	-0.2092	0.0215	0.9311	0.0211	-1.1385	-0.141	0.27	0.0287	0.0054	0.5148	0.0712	0.5318	-39.3892	-8.2134	-2.2134
38	4.5016	5.5009	2.5464	8.6541	3.0993	3.713	-0.3497	0.229	0.769	0.3751	0.1172	0.8865	-0.547	0.2279	0.16	0.5185	0.0559	-0.0014	0.3498	-0.012	0.4422	-26.4729	10.4313	-1.0033
39	7.6477	4.7001	0.2222	9.5605	4.4692	6.9372	-0.1583	0.5924	-0.1475	-0.0647	0.2273	0.3205	0.5245	-0.0931	-0.1231	0.4133	0.0358	-0.0302	0.2362	0.0346	0.2776	-30.6283	-7.2503	-6.6288
40	3.3384	-0.106	-0.2435	1.8269	0.9573	5.3059	-0.1127	-0.524	0.7021	-0.0349	-0.1689	-0.106	-1.2038	-0.2356	0.1626	0.532	0.0151	-0.1321	0.4824	-0.1765	0.5669	15.3661	1.6459	15.5715
41	5.3866	2.2871	1.0776	7.7677	1.6041	0.5915	0.5928	-0.2197	0.3105	1.1643	-0.8911	1.424	0.6238	-0.8775	0.1283	0.661	-0.0739	0.0969	1.0064	-0.2424	0.6777	0.2914	-11.223	21.2569
42	4.3076	2.2271	1.2075	2.1766	-0.4831	3.8359	0.1714	-1.0236	-0.434	-0.4094	-0.2807	-0.7353	0.4536	0.0205	0.0863	0.6307	0.1062	-0.1575	0.759	0.0209	0.5182	16.3643	-11.8822	20.7881
43	0.013	-0.317	-0.2048	8.3851	5.0569	3.2174	0.0945	-1.1938	-1.2234	2.0942	-0.84	0.2777	1.3734	-0.1949	0.6896	1.083	-0.2298	-0.0417	1.1872	-0.0526	0.5943	9.4094	-12.892	29.0233
44	0.5039	0.676	-1.3178	3.5995	-0.5834	3.6413	0.0358	-1.6304	-0.1148	1.2392	-0.1802	0.1564	0.0862	-1.2602	0.5404	0.7921	-0.1084	0.0883	1.0295	-0.224	0.6525	8.0356	-4.139	28.7036
45	4.021	1.8123	0.8916	5.0339	2.8817	4.7084	-0.0071	-0.927	0.0972	0.8359	0.0913	-0.6808	-0.5853	0.377	-0.1247	0.5221	-0.0374	-0.1661	0.5538	-0.05	0.5017	17.5756	-2.1968	21.9886
46	5.0832	-1.3475	-3.4227	7.545	0.7762	2.3363	0.6902	-1.1328	-0.693	0.3105	0.1412	-1.2994	-0.2221	1.5784	-0.809	0.4573	-0.1636	-0.0879	0.9525	0.0738	0.643	5.7308	-22.222	16.8214
47	5.6248	0.2173	0.8768	0.7286	0.9166	4.5499	0.3545	-0.6698	0.3871	0.5859	-0.5396	-0.7249	-0.7236	0.376	0.2401	0.4875	-0.0891	-0.1311	0.5529	-0.0688	0.4819	16.9212	-1.5252	14.8992
48	4.4903	-1.0715	-0.4014	3.2896	-0.6709	3.3698	-0.5005	-1.0488	0.0581	0.4952	0.42	0.1494	0.0694	-0.1112	0.1433	0.6359	0.1299	0.0678	0.4767	-0.0236	0.5528	-7.2727	17.9052	10.0206
49	7.3229	0.4079	-1.2958	3.1832	2.076	4.7609	-0.4258	-1.6238	0.5966	0.254	0.5233	-0.7583	-1.4378	1.5679	-0.3191	0.8942	0.2157	-0.2605	0.9727	-0.318	0.9558	2.7661	26.3604	14.2244
50	4.3342	0.2048	-0.955	1.4867	0.5205	3.4736	-0.9174	-1.5864	0.3967	1.3782	0.6796	0.2575	-0.0723	0.0738	0.1149	1.0492	0.3205	0.0755	0.8599	-0.1478	0.6604	-9.2356	22.7185	15.9621
51	2.0082	-4.9717	6.1366	4.6876	-2.4196	3.8812	0.0347	-0.7241	1.3019	-0.0453	-0.5958	-0.9389	-1.3067	-0.9512	0.4531	1.056	0.2076	-0.0907	0.6563	-0.0895	0.5459	9.8417	12.5338	15.5837
52	2.3811	1.7838	-0.6407	4.2889	1.137	2.0499	-0.6696	-0.1175	1.5194	0.1388	0.4371	-0.2054	-0.2061	0.0846	0.223	0.7351	0.0862	-0.0121	0.3621	-0.0834	0.654	-9.5278	24.0345	2.1758

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid -1 through 28 )	A	0
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 29 through 59 )	A	0
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 60 through 85 )	A	0
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 86 through 100 )	A	0
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 101 through 112 )	A	0
6	X-RAY DIFFRACTION	6	chain 'B' and (resid -1 through 34 )	B	0
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 35 through 54 )	B	0
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 55 through 59 )	B	0
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 60 through 85 )	B	0
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 86 through 100 )	B	0
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 101 through 112 )	B	0
12	X-RAY DIFFRACTION	12	chain 'C' and (resid -1 through 28 )	C	0
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 29 through 54 )	C	0
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 55 through 59 )	C	0
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 60 through 100 )	C	0
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 101 through 112 )	C	0
17	X-RAY DIFFRACTION	17	chain 'D' and (resid -1 through 9 )	D	0
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 10 through 16 )	D	0
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 17 through 34 )	D	0
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 35 through 46 )	D	0
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 47 through 74 )	D	0
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 75 through 85 )	D	0
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 86 through 100 )	D	0
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 101 through 112 )	D	0
25	X-RAY DIFFRACTION	25	chain 'E' and (resid -1 through 16 )	E	0
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 17 through 67 )	E	0
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 68 through 85 )	E	0
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 86 through 100 )	E	0
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 101 through 112 )	E	0
30	X-RAY DIFFRACTION	30	chain 'F' and (resid -1 through 9 )	F	0
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 10 through 16 )	F	0
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 17 through 34 )	F	0
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 35 through 44 )	F	0
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 45 through 54 )	F	0
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 55 through 64 )	F	0
36	X-RAY DIFFRACTION	36	chain 'F' and (resid 65 through 74 )	F	0
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 75 through 85 )	F	0
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 86 through 100 )	F	0
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 101 through 112 )	F	0
40	X-RAY DIFFRACTION	40	chain 'G' and (resid -1 through 16 )	G	0
41	X-RAY DIFFRACTION	41	chain 'G' and (resid 17 through 29 )	G	0
42	X-RAY DIFFRACTION	42	chain 'G' and (resid 30 through 39 )	G	0
43	X-RAY DIFFRACTION	43	chain 'G' and (resid 40 through 54 )	G	0
44	X-RAY DIFFRACTION	44	chain 'G' and (resid 55 through 74 )	G	0
45	X-RAY DIFFRACTION	45	chain 'G' and (resid 75 through 92 )	G	0
46	X-RAY DIFFRACTION	46	chain 'G' and (resid 93 through 100 )	G	0
47	X-RAY DIFFRACTION	47	chain 'G' and (resid 101 through 111 )	G	0
48	X-RAY DIFFRACTION	48	chain 'H' and (resid -1 through 34 )	H	0
49	X-RAY DIFFRACTION	49	chain 'H' and (resid 35 through 46 )	H	0
50	X-RAY DIFFRACTION	50	chain 'H' and (resid 47 through 93 )	H	0
51	X-RAY DIFFRACTION	51	chain 'H' and (resid 94 through 100 )	H	0
52	X-RAY DIFFRACTION	52	chain 'H' and (resid 101 through 112 )	H	0