PDB-4y5v: Diabody 305 complex with EpoR

ID or keywords:

Entry

Database: PDB / ID: 4y5v

Title

Diabody 305 complex with EpoR

Components

Diabody 305 VL domain
Erythropoietin receptor
diabody 305 VH domain

Keywords

protein binding/immune system / diabody complex / receptor / protein binding-immune system complex

Function / homology

Function and homology information

erythropoietin receptor activity / Signaling by Erythropoietin / Erythropoietin activates STAT5 / Erythropoietin activates Phospholipase C gamma (PLCG) / Erythropoietin activates Phosphoinositide-3-kinase (PI3K) / hemopoiesis / decidualization / Erythropoietin activates RAS / brain development / cytokine-mediated signaling pathway ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON / Resolution: 2.604 Å

Authors

Moraga, I. / Guo, F. / Ozkan, E. / Jude, K.M. / Garcia, K.C.

Citation

Journal: Cell / Year: 2015
Title: Tuning Cytokine Receptor Signaling by Re-orienting Dimer Geometry with Surrogate Ligands.
Authors: Moraga, I. / Wernig, G. / Wilmes, S. / Gryshkova, V. / Richter, C.P. / Hong, W.J. / Sinha, R. / Guo, F. / Fabionar, H. / Wehrman, T.S. / Krutzik, P. / Demharter, S. / Plo, I. / Weissman, I.L. ...

History

Deposition	Feb 12, 2015	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 29, 2015	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4y5v.cif.gz	519.4 KB	Display	PDBx/mmCIF format
PDB format	pdb4y5v.ent.gz	445.4 KB	Display	PDB format
PDBx/mmJSON format	4y5v.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	4y5v_validation.pdf.gz	530.5 KB	Display	wwPDB validaton report
Full document	4y5v_full_validation.pdf.gz	544.2 KB	Display
Data in XML	4y5v_validation.xml.gz	49.8 KB	Display
Data in CIF	4y5v_validation.cif.gz	67.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/y5/4y5v ftp://data.pdbj.org/pub/pdb/validation_reports/y5/4y5v	HTTPS FTP

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Related structure data

Related structure data	4y5xC 4y5yC C: citing same article (ref.)
Similar structure data	4dcn-d 11816 6r76-d 6o8e-d 6sua-d 4r2g-4 4gzv-d 3iha-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) 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	#52 - Apr 2004 Growth Hormone similarity (5) #21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #148 - Apr 2012 Ras Protein similarity (2) #185 - May 2015 Titin similarity (1) #195 - Mar 2016 RAF Protein Kinases similarity (1) #141 - Sep 2011 O-GlcNAc Transferase similarity (1)

Deposited unit

A: diabody 305 VH domain

B: Diabody 305 VL domain

C: Erythropoietin receptor

D: diabody 305 VH domain

E: Diabody 305 VL domain

F: Erythropoietin receptor

G: diabody 305 VH domain

H: Diabody 305 VL domain

I: Erythropoietin receptor

hetero molecules

155 kDa, 9 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: diabody 305 VH domain

B: Diabody 305 VL domain

C: Erythropoietin receptor

D: diabody 305 VH domain

E: Diabody 305 VL domain

F: Erythropoietin receptor

hetero molecules

defined by author
103 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

G: diabody 305 VH domain

H: Diabody 305 VL domain

I: Erythropoietin receptor

hetero molecules

G: diabody 305 VH domain

H: Diabody 305 VL domain

I: Erythropoietin receptor

hetero molecules

defined by author
103 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	125.730, 215.021, 171.905
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	20
Space group name H-M	C222₁

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Protein , 1 types, 3 molecules CFI

#3: Protein	Erythropoietin receptor / EPO-R Mass: 25129.424 Da / Num. of mol.: 3 / Mutation: N52Q, N164Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: EPOR / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P19235

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Antibody , 2 types, 6 molecules ADGBEH

#1: Antibody	diabody 305 VH domain Mass: 13819.239 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Trichoplusia ni (cabbage looper)
#2: Antibody	Diabody 305 VL domain Mass: 12079.210 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Trichoplusia ni (cabbage looper)

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Non-polymers , 4 types, 318 molecules

#4: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 15 / Source method: obtained synthetically / Formula: C₃H₈O₃
#5: Chemical	ChemComp-PGE / TRIETHYLENE GLYCOL Mass: 150.173 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₆H₁₄O₄
#6: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 301 / 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: 3.79 Å³/Da / Density % sol: 67.59 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7 / Details: HEPES, PEG 4000

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 0.9795 Å
Detector	Type: PSI PILATUS 6M / Detector: PIXEL / Date: Feb 20, 2013
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9795 Å / Relative weight: 1
Reflection	Resolution: 2.6→45.576 Å / Num. obs: 68355 / % possible obs: 96 % / Redundancy: 6.4 % / R_merge(I) obs: 0.137 / Net I/σ(I): 13.6
Reflection shell	Resolution: 2.604→2.697 Å / Redundancy: 4.8 % / R_merge(I) obs: 0.665 / Mean I/σ(I) obs: 1.7 / % possible all: 77.43

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Processing

Software

Name	Version	Classification
PHENIX	(phenix.refine: dev_1839)	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHASER		phasing

Refinement

Resolution: 2.604→45.576 Å / SU ML: 0.29 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 24.92 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2288	3457	5.06 %
R_work	0.1867	-	-
obs	0.1888	68333	95.76 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.604→45.576 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9851	0	107	301	10259

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	10235
X-RAY DIFFRACTION	f_angle_d	0.65	13895
X-RAY DIFFRACTION	f_dihedral_angle_d	9.705	3609
X-RAY DIFFRACTION	f_chiral_restr	0.026	1515
X-RAY DIFFRACTION	f_plane_restr	0.003	1763

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 (%)
2.6042-2.6399	0.3043	111	0.259	1987	X-RAY DIFFRACTION	74
2.6399-2.6776	0.3021	125	0.2586	2080	X-RAY DIFFRACTION	78
2.6776-2.7175	0.3125	107	0.2499	2238	X-RAY DIFFRACTION	83
2.7175-2.76	0.3291	118	0.242	2313	X-RAY DIFFRACTION	86
2.76-2.8052	0.3011	128	0.234	2386	X-RAY DIFFRACTION	89
2.8052-2.8536	0.2772	131	0.2468	2515	X-RAY DIFFRACTION	93
2.8536-2.9055	0.3006	144	0.2457	2566	X-RAY DIFFRACTION	96
2.9055-2.9614	0.2853	143	0.2371	2623	X-RAY DIFFRACTION	98
2.9614-3.0218	0.2737	138	0.2383	2642	X-RAY DIFFRACTION	99
3.0218-3.0875	0.2946	141	0.2273	2675	X-RAY DIFFRACTION	99
3.0875-3.1593	0.2555	130	0.2092	2698	X-RAY DIFFRACTION	100
3.1593-3.2383	0.2665	147	0.1991	2686	X-RAY DIFFRACTION	100
3.2383-3.3258	0.2255	141	0.1932	2697	X-RAY DIFFRACTION	100
3.3258-3.4236	0.2536	143	0.1949	2709	X-RAY DIFFRACTION	100
3.4236-3.5341	0.2252	141	0.1922	2699	X-RAY DIFFRACTION	100
3.5341-3.6604	0.2284	143	0.1777	2713	X-RAY DIFFRACTION	100
3.6604-3.8068	0.2426	143	0.1754	2695	X-RAY DIFFRACTION	100
3.8068-3.98	0.1998	141	0.1721	2701	X-RAY DIFFRACTION	100
3.98-4.1897	0.2088	138	0.1572	2733	X-RAY DIFFRACTION	100
4.1897-4.452	0.1715	148	0.1444	2715	X-RAY DIFFRACTION	100
4.452-4.7954	0.1792	141	0.1389	2715	X-RAY DIFFRACTION	100
4.7954-5.2773	0.2041	161	0.1491	2704	X-RAY DIFFRACTION	100
5.2773-6.0395	0.1961	162	0.1749	2747	X-RAY DIFFRACTION	100
6.0395-7.6034	0.245	138	0.2021	2770	X-RAY DIFFRACTION	100
7.6034-45.583	0.2026	154	0.192	2869	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	5.9119	2.7211	2.1293	3.371	0.9715	4.5739	-0.0475	0.5431	0.1144	-0.6028	0.2075	0.3209	-0.1214	0.2059	-0.1615	0.4958	0.0327	-0.0528	0.1813	0.0268	0.3443	-62.0509	-49.2532	-63.9273
2	3.8468	-1.4511	0.3592	3.6074	-0.73	3.8632	0.0435	-0.1862	-0.0307	-0.0539	0.0689	0.1526	-0.2688	-0.2867	-0.0757	0.2908	0.0093	-0.0412	0.1919	-0.0348	0.2232	-63.0547	-53.883	-56.5494
3	3.1217	2.4663	0.8949	7.4332	2.4203	4.9239	-0.1518	0.0836	-0.0588	-0.613	0.1568	-0.3163	-0.232	0.2081	-0.0521	0.2788	0.0238	-0.0312	0.2109	0.0123	0.2582	-55.5783	-52.7774	-58.6562
4	6.9166	-0.0799	-0.0696	6.698	-1.4147	6.102	-0.3335	-0.1821	1.3304	0.0105	-0.377	-0.0024	-0.1571	-0.0985	0.4646	0.553	0.1874	-0.0614	0.4219	-0.1168	0.5219	-48.7026	-68.0231	-52.1558
5	3.4139	1.1346	-0.754	6.7232	4.2372	3.8129	-0.5491	0.0738	-0.721	-0.6644	0.4389	-1.6402	1.2279	1.9152	0.1064	1.0154	0.4136	0.1532	0.8041	0.033	0.657	-35.9599	-74.4218	-68.8873
6	1.4065	-0.52	0.825	1.3624	-0.7107	1.9456	0.0582	-0.0796	-0.4008	0.3048	-0.0083	-0.0251	0.3448	0.2084	-0.0265	0.656	0.1043	0.0366	0.2808	-0.0114	0.4062	-53.8442	-72.5926	-59.2578
7	6.258	-0.485	1.3769	2.7661	1.6716	3.5349	-0.42	0.6244	0.1625	-0.9247	0.705	-0.5463	-0.0636	0.7785	-0.348	0.6017	0.0214	0.0564	0.3484	-0.044	0.2831	-49.265	-61.6446	-69.2871
8	6.771	1.0363	-0.0367	2.9056	-0.6246	2.626	0.5215	1.0428	-0.6091	-0.8516	-0.3587	0.0824	0.7412	-0.2396	-0.0067	0.9582	0.0942	-0.0409	0.3972	-0.13	0.3958	-55.3515	-73.0662	-72.8434
9	1.3642	-0.1692	-1.2567	0.9854	0.1669	6.0936	-0.0411	0.1447	-0.3745	-0.3378	-0.0413	-0.303	0.6889	0.0841	0.1136	0.8212	0.1552	-0.0509	0.3538	-0.0669	0.4194	-50.5019	-77.5002	-63.4516
10	7.3511	-0.6987	-3.8767	2.2854	2.0348	3.5451	0.3159	0.7889	0.2801	-1.1948	0.2745	-1.3659	0.7265	1.0499	-0.4975	0.8191	0.1971	0.2005	0.5433	-0.0506	0.633	-40.034	-68.9065	-73.5925
11	2.2592	0.7153	-1.4456	1.9629	0.4182	2.7579	-0.1663	-0.0013	0.1497	-0.1533	0.2261	0.0419	0.5399	0.1497	-0.074	0.4887	0.0906	-0.0833	0.2842	0.0029	0.3228	-54.9088	-66.7438	-56.7774
12	2.9428	4.2218	-1.8685	6.7897	-3.4929	2.1041	-0.2634	-0.4724	0.0262	-0.034	0.529	0.0675	-0.5396	0.7072	-0.0517	0.6195	0.1611	0.0739	0.6792	-0.2022	0.5907	-35.5396	-67.7926	-67.1577
13	2.8235	0.412	0.7422	2.1005	0.3499	4.9787	-0.2458	0.3782	-0.2586	-0.3393	0.0996	0.1454	0.0218	-0.5209	0.1887	0.8172	-0.2062	-0.1406	0.4985	-0.0677	0.493	-80.7645	-79.3217	-70.1653
14	0.7904	-0.8172	0.3581	0.7765	0.3148	2.6392	0.0069	0.2576	-0.2301	-0.2923	-0.1451	0.4957	0.4255	-0.4797	0.1298	0.8161	-0.166	-0.2062	0.462	-0.0516	0.5852	-80.3802	-77.9678	-69.4389
15	5.1005	1.3188	-0.7892	4.8829	0.0564	4.763	-0.0476	-0.0318	-0.0518	-0.0005	-0.1809	0.0754	0.11	-0.2128	0.1513	0.7165	-0.2202	-0.08	0.3742	-0.0564	0.4884	-81.1478	-80.9955	-39.4115
16	1.8795	1.296	-3.877	4.3333	-2.3862	7.2305	0.0668	0.1298	0.2123	0.4201	0.132	0.5704	0.015	-0.3292	-0.1792	0.9017	-0.3548	-0.0468	0.548	-0.0615	0.5185	-85.6696	-82.3271	-42.3206
17	4.0486	5.1751	2.5823	7.6561	2.9026	1.8158	0.1492	-0.5336	0.1789	1.5931	0.2057	-0.1288	-0.3508	-0.3988	-0.4244	0.5231	-0.0247	-0.0163	0.4714	-0.1059	0.4654	-47.54	-30.8058	-14.5946
18	6.1396	-2.035	-3.7462	6.7179	-2.5239	4.635	0.3011	0.1158	0.3811	0.099	-0.6627	0.4723	1.1839	-1.5763	-0.1556	0.3588	-0.109	-0.0416	0.3049	-0.0207	0.3695	-54.6395	-41.772	-34.5527
19	2.5132	0.2047	0.4284	6.6973	2.7109	4.8715	-0.0487	-0.4713	0.0356	0.7818	0.0701	0.1418	0.1002	-0.0017	0.0059	0.2971	-0.0654	0.0226	0.319	-0.0419	0.2237	-45.9829	-28.0304	-23.0791
20	5.4095	-7.1756	0.1813	9.4681	-0.2267	0.0101	0.353	-0.8162	0.9877	-0.1431	0.1394	-1.3276	0.1486	0.2784	-0.2953	0.2331	-0.0287	0.0509	0.4187	-0.1176	0.3692	-41.2034	-27.4975	-30.2376
21	8.4925	-4.7814	-4.9552	5.1747	5.1926	5.3089	0.1414	0.1645	0.6557	-0.3302	0.2539	-0.4132	-0.2162	-0.1326	-0.7267	0.471	0.0617	0.0376	0.2925	-0.0325	0.3188	-46.0672	-20.493	-32.6778
22	2.3116	-1.2761	-0.3133	5.6075	3.3742	7.2495	0.3047	0.57	0.2902	-0.4021	-0.5232	-0.0787	0.1826	-0.5907	0.2499	0.296	0.0026	-0.022	0.4263	0.0601	0.2806	-51.0327	-25.8905	-32.4413
23	1.6895	-2.9587	-3.2016	5.1774	5.5832	6.0542	-0.2079	0.0073	-0.0791	-0.0296	-0.0929	0.6599	-0.4131	-0.4377	0.22	0.2861	-0.0298	0.0026	0.4398	-0.0787	0.2569	-54.3823	-26.2115	-24.0134
24	2.8615	-3.5108	3.2631	5.2843	-5.1374	5.0435	-0.2304	-0.0557	-0.3489	-0.521	-0.2494	-0.0536	0.609	-0.1978	0.6408	0.2949	0.0269	-0.0183	0.3098	-0.0326	0.344	-48.2561	-37.7791	-38.8039
25	4.0082	0.577	-1.0668	6.932	-0.1951	3.1898	0.3014	-0.1624	0.2199	0.1166	-0.0549	-0.0155	-0.1	0.083	-0.2573	0.2794	-0.0607	-0.0375	0.2806	-0.0073	0.2416	-40.0377	-27.6811	-21.324
26	7.1461	3.5572	3.3175	9.3759	6.9231	5.2701	-0.2751	-0.2252	-0.2837	0.4502	-0.3901	0.1839	1.2533	0.2017	0.2303	0.5761	-0.1534	0.0231	0.2173	-0.0183	0.4409	-48.1412	-42.3802	-28.9228
27	5.4836	2.6697	-4.2679	7.1407	1.8809	6.012	-0.1315	0.01	-0.861	-1.1678	0.0908	-0.1634	-0.2378	-0.5975	0.1951	0.4046	0.0876	0.0062	0.5619	-0.1612	0.4325	-27.6773	-32.1656	-34.4577
28	0.0254	-0.0626	0.3282	1.1129	-2.149	6.3701	1.0101	-0.5851	-0.5021	0.7422	0.0289	-0.5178	0.4953	1.0955	-0.734	0.3686	0.1723	-0.168	1.0708	0.0049	0.5517	-15.6923	-40.4068	-18.2304
29	1.1593	-0.1844	0.3472	3.07	-0.9234	3.4351	-0.092	0.3927	0.1838	-0.1547	-0.1851	-0.8562	-0.0232	0.6468	0.3191	0.2768	-0.1026	-0.0762	0.5695	0.008	0.4883	-26.0291	-25.5605	-27.3053
30	5.311	-3.5599	0.3702	3.3894	1.7477	5.3673	0.0121	-0.5543	-1.0706	0.4091	-0.2777	0.0583	0.5222	0.2868	0.0114	0.504	-0.0743	-0.1233	0.405	-0.0185	0.4534	-33.0868	-35.08	-17.2122
31	3.8933	-0.3378	-2.1149	4.1801	-0.7945	2.1117	-0.1931	-0.744	0.1675	0.6453	0.523	-0.2786	-0.2837	1.384	-0.1774	0.4211	-0.1359	-0.2096	0.8044	-0.0644	0.4898	-24.3367	-24.4764	-15.792
32	2.073	-1.1822	1.0395	6.314	-1.359	4.2582	-0.467	0.2233	-0.3618	1.0452	0.4079	-0.6975	-0.2686	0.3469	0.1356	0.32	0.0061	-0.0788	0.7842	0.0606	0.5251	-21.009	-33.9401	-18.6289
33	2.5858	-0.8338	1.5398	4.7048	-2.0237	4.8615	0.2492	-0.1066	-0.1786	0.3329	0.0564	0.4703	-0.3737	0.5348	-0.2288	0.2589	-0.0644	0.0212	0.457	-0.0486	0.3344	-31.6784	-27.4224	-29.7041
34	4.7477	-2.3302	1.6339	4.4619	-4.1983	4.1992	0.5278	-0.3103	-0.8853	0.0885	0.6788	-1.3008	2.242	1.1246	-1.1111	0.8363	0.2498	-0.1892	0.7443	-0.0809	0.664	-21.0693	-43.9825	-19.8137
35	1.9624	0.3316	1.249	3.101	1.8866	5.5128	-0.0197	0.1427	0.2083	0.2299	0.0922	-0.0811	-0.8295	-0.1714	-0.0298	0.9013	-0.1587	0.0463	0.4653	-0.0819	0.4451	-33.5218	1.5131	-16.0793
36	5.0218	1.3439	-2.5275	9.0996	-5.0689	6.0879	-0.1463	0.401	0.4834	-0.8411	0.5562	-1.2751	-1.1341	0.715	-0.4031	1.1862	-0.3959	-0.0824	0.7474	-0.1463	0.596	-29.0664	6.5075	-10.2287
37	0.475	0.8216	0.4575	1.3619	0.3579	3.9013	-0.1723	0.1127	0.1667	0.1059	0.0065	-0.1291	-0.3095	-0.2916	0.1288	0.5996	-0.1224	0.0007	0.4781	-0.0807	0.4342	-35.0115	-1.3012	-26.0297
38	5.2994	0.7896	0.5591	8.6198	-0.6339	4.6353	-0.114	-0.0515	-0.0985	0.0924	0.0011	0.1929	-0.3635	-0.0314	0.1245	0.7185	-0.3136	0.0523	0.5193	-0.0647	0.4157	-33.3953	2.7167	-41.0658
39	3.9245	0.8127	0.8458	7.3921	-3.9691	4.4693	-0.4199	0.5967	0.0569	0.0714	0.1735	0.067	-0.4515	-0.2793	0.1374	0.8071	-0.3508	-0.019	0.5671	-0.0675	0.5356	-35.5937	5.4203	-51.7046
40	1.4297	1.3189	-0.159	4.4927	-5.5468	8.2252	0.2243	0.0515	0.3834	-0.0474	0.234	0.8205	-0.365	0.1545	-0.2495	0.8712	-0.3038	0.0018	0.5039	-0.0487	0.5553	-32.931	5.9353	-40.4812
41	6.0541	0.9638	-5.8843	2.0295	-1.3863	5.8804	0.4178	1.1876	0.3226	-1.215	0.0101	-0.2435	-0.1702	-0.7678	-0.5434	0.9021	-0.1856	0.0489	0.4697	0.0191	0.4121	-51.4375	-25.0018	-71.5763
42	5.204	-0.5071	5.1859	8.596	1.3363	5.5792	-0.297	-1.0043	-0.8425	0.54	-0.0504	0.45	-0.0321	-0.2066	0.0458	0.1598	-0.0257	0.0567	0.4739	0.1129	0.3423	-64.1772	-25.5303	-51.4546
43	2.6678	-0.0661	-0.7515	2.3253	-0.0093	2.9725	-0.0465	0.4892	-0.0984	-0.7491	0.0193	-0.2896	0.0981	-0.0231	0.0578	0.4988	-0.134	0.1519	0.3805	-0.0663	0.302	-47.7697	-24.0742	-61.611
44	4.6574	-5.8733	-6.4729	7.9938	8.3666	9.8129	0.2964	-0.717	-0.0859	-1.0564	0.4584	-1.138	-0.3038	1.321	-0.6216	0.6085	-0.0238	0.1334	0.3517	-0.0733	0.5588	-41.5589	-28.9125	-53.7628
45	2.5888	-0.7771	-1.6721	2.7526	1.047	4.9349	0.0026	0.3166	-0.5652	-0.2845	-0.093	-0.1085	0.3954	-0.6178	0.141	0.4259	-0.1254	0.0704	0.2762	-0.0647	0.3068	-49.7815	-31.9151	-58.2065
46	5.2368	1.2583	-1.8893	2.7332	-0.2299	2.0417	-0.1502	0.4404	-0.017	-0.2429	0.0914	-0.0488	-0.2994	-0.1408	0.0012	0.414	-0.0384	0.0727	0.2839	-0.0477	0.2456	-52.0566	-20.5362	-58.6527
47	2.3621	-3.8115	2.104	8	0.1445	9.2883	0.0128	-0.4097	0.0875	0.5376	0.1617	0.8	0.2409	-0.0724	-0.0389	0.7079	-0.1749	0.2073	0.3742	-0.047	0.4911	-42.2058	-7.059	-51.9552
48	1.5308	-0.2151	-0.6227	0.435	-0.9675	3.013	-0.2691	0.8002	0.9948	0.0743	0.247	-0.3467	-1.2088	0.3098	0.0051	1.5333	-0.5885	0.1001	0.3965	0.1342	0.4972	-43.3583	7.5603	-68.205
49	2.1267	0.5901	-0.3866	1.9386	0.1721	2.5311	-0.1512	0.2903	0.3114	-0.4196	0.1194	-0.2479	-0.5095	0.2707	0.0126	0.649	-0.2856	0.1393	0.4779	-0.03	0.4159	-39.2211	-7.7568	-63.9704
50	2.3945	-0.9593	-2.2074	1.7105	1.6205	2.7404	-0.8701	-0.2734	-0.1545	0.5962	-0.0458	-0.1731	2.1353	0.975	0.3686	1.2734	0.2479	0.5895	1.0132	0.0668	0.6324	-18.5757	-29.6306	-72.0148
51	3.5393	-1.7692	2.7955	3.752	-1.5611	2.3005	-0.0696	0.2281	0.1431	-1.4094	-0.8921	-1.0677	0.6541	1.4318	0.62	0.3579	0.1617	0.3119	1.3368	0.1788	0.8506	-15.1421	-28.0106	-41.6733
52	0.2427	-0.4563	0.3873	0.7503	-0.558	0.2344	0.1395	0.6453	-0.1443	-0.873	-0.3964	-0.9706	1.0418	1.0479	-0.0917	0.7033	0.2632	0.4226	1.439	0.2876	1.0915	-13.1471	-31.9525	-45.5236

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 33 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 34 through 83 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 84 through 118 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 0 through 8 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 9 through 17 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 18 through 40 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 41 through 50 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 51 through 63 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 64 through 77 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 78 through 86 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 87 through 105 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 106 through 110 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 9 through 68 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 69 through 127 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 128 through 183 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 184 through 221 )
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 1 through 7 )
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 8 through 17 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 18 through 44 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 45 through 51 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 52 through 64 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 65 through 73 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 74 through 83 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 84 through 91 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 92 through 108 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 109 through 119 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 0 through 8 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 9 through 17 )
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 18 through 40 )
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 41 through 50 )
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 51 through 69 )
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 70 through 86 )
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 87 through 105 )
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 106 through 110 )
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 9 through 64 )
36	X-RAY DIFFRACTION	36	chain 'F' and (resid 65 through 84 )
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 85 through 141 )
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 142 through 174 )
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 175 through 190 )
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 191 through 221 )
41	X-RAY DIFFRACTION	41	chain 'G' and (resid 1 through 7 )
42	X-RAY DIFFRACTION	42	chain 'G' and (resid 8 through 17 )
43	X-RAY DIFFRACTION	43	chain 'G' and (resid 18 through 51 )
44	X-RAY DIFFRACTION	44	chain 'G' and (resid 52 through 64 )
45	X-RAY DIFFRACTION	45	chain 'G' and (resid 65 through 83 )
46	X-RAY DIFFRACTION	46	chain 'G' and (resid 84 through 118 )
47	X-RAY DIFFRACTION	47	chain 'H' and (resid 0 through 8 )
48	X-RAY DIFFRACTION	48	chain 'H' and (resid 9 through 17 )
49	X-RAY DIFFRACTION	49	chain 'H' and (resid 18 through 110 )
50	X-RAY DIFFRACTION	50	chain 'I' and (resid 10 through 122 )
51	X-RAY DIFFRACTION	51	chain 'I' and (resid 123 through 183 )
52	X-RAY DIFFRACTION	52	chain 'I' and (resid 184 through 219 )

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