PDB-3eih: Crystal structure of S.cerevisiae Vps4 in the presence of ATPgammaS

ID or keywords:

Entry

Database: PDB / ID: 3eih

Title

Crystal structure of S.cerevisiae Vps4 in the presence of ATPgammaS

Components

Vacuolar protein sorting-associated protein 4

Vacuole

Keywords

PROTEIN TRANSPORT /

AAA ATPase /

ATP-binding cassette / ATP-binding /

Endosome /

Membrane / Nucleotide-binding /

Phosphoprotein / Transport

Function / homology

Function and homology information

ESCRT IV complex / late endosome to lysosome transport via multivesicular body sorting pathway / intralumenal vesicle formation / Sealing of the nuclear envelope (NE) by ESCRT-III / protein retention in Golgi apparatus / late endosome to vacuole transport via multivesicular body sorting pathway / sterol metabolic process / nuclear membrane reassembly / midbody abscission / vacuole organization ...
Similarity search - Function

Biological species

Saccharomyces cerevisiae (brewer's yeast)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.25 Å

Authors

Gonciarz, M.D. / Whitby, F.G. / Eckert, D.M. / Kieffer, C. / Heroux, A. / Sundquist, W.I. / Hill, C.P.

Citation

Journal: J.Mol.Biol. / Year: 2008
Title: Biochemical and structural studies of yeast vps4 oligomerization.
Authors: Gonciarz, M.D. / Whitby, F.G. / Eckert, D.M. / Kieffer, C. / Heroux, A. / Sundquist, W.I. / Hill, C.P.

History

Deposition	Sep 15, 2008	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 30, 2008	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.2	Mar 7, 2012	Group: Non-polymer description
Revision 1.3	Oct 20, 2021	Group: Database references / Derived calculations / Category: 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
Revision 1.4	Feb 21, 2024	Group: Data collection / Category: chem_comp_atom / chem_comp_bond

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3eih.cif.gz	198.9 KB	Display	PDBx/mmCIF format
PDB format	pdb3eih.ent.gz	160.8 KB	Display	PDB format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ei/3eih ftp://data.pdbj.org/pub/pdb/validation_reports/ei/3eih	HTTPS FTP

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Related structure data

Related structure data	3eieC C: citing same article (ref.)
Similar structure data	2qpa-1 2odf-3 2nyf-d 2v8y-d 4nhm-d 6ldn-d 2hg1-d 3tyu-d 1k7e-d 3k5w-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) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

3eieC

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#80 - Aug 2006 AAA+ Proteases similarity (6) #166 - Oct 2013 Proteasome similarity (4) #167 - Nov 2013 SNARE Proteins similarity (4) #150 - Jun 2012 Sliding Clamps similarity (1)

Deposited unit

A: Vacuolar protein sorting-associated protein 4

B: Vacuolar protein sorting-associated protein 4

C: Vacuolar protein sorting-associated protein 4

hetero molecules

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

1

A: Vacuolar protein sorting-associated protein 4

hetero molecules

defined by author&software
37.9 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Vacuolar protein sorting-associated protein 4

hetero molecules

defined by author&software
37.9 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Vacuolar protein sorting-associated protein 4

hetero molecules

defined by author&software
37.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	76.956, 119.804, 156.831
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	Vacuolar protein sorting-associated protein 4 / Vacuole / Protein END13 / DOA4-independent degradation protein 6 / Vacuolar protein-targeting protein 10 Mass: 37364.098 Da / Num. of mol.: 3 / Fragment: UNP residues 104-437 / Mutation: E233Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast) Gene: VPS4, CSC1, DID6, END13, GRD13, VPL4, VPT10, YPR173C, P9705.10 Plasmid: pET151 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) RIL / References: UniProt: P52917
#2: Chemical	ChemComp-AGS / PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER / ATP-GAMMA-S / ADENOSINE 5'-(3-THIOTRIPHOSPHATE) / ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE) / ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE Mass: 523.247 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₁₀H₁₆N₅O₁₂P₃S / Comment: ATP-gamma-S, energy-carrying molecule analogue*YM
#3: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Mg
#4: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₆O₂

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.22 Å³/Da / Density % sol: 61.86 %
Crystal grow	Temperature: 296 K / Method: vapor diffusion, sitting drop / pH: 5 Details: 48 % Ethylene glycol, 0.1M Bis-Tris, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: NSLS / Beamline: X25 / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Oct 11, 2005
Radiation	Monochromator: Si 111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 3.25→50 Å / Num. obs: 23550 / % possible obs: 100 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / R_merge(I) obs: 0.12 / Net I/σ(I): 8
Reflection shell	Resolution: 3.25→3.37 Å / % possible all: 100

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Processing

Software

Name	Version	Classification
ADSC	Quantum	data collection
PHASER		phasing
REFMAC	5.4.0054	refinement
HKL-2000		data reduction
SCALEPACK		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 3.25→33 Å / Cor.coef. F_o:F_c: 0.929 / Cor.coef. F_o:F_c free: 0.88 / SU B: 26.645 / SU ML: 0.44 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R Free: 0.58 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.30457	1208	5.1 %	RANDOM
R_work	0.2255	-	-	-
obs	0.22958	22286	99.7 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 86.713 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.66 Å²	0 Å²	0 Å²
2-	-	-1.7 Å²	0 Å²
3-	-	-	1.04 Å²

Refinement step

Cycle: LAST / Resolution: 3.25→33 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7327	0	69	0	7396

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.012	0.022	7521
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.629	1.99	10181
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.595	5	941
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	42.487	24.922	321
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	22.443	15	1361
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.597	15	47
X-RAY DIFFRACTION	r_chiral_restr	0.107	0.2	1157
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.021	5561
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.624	1.5	4703
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	1.17	2	7608
X-RAY DIFFRACTION	r_scbond_it	1.267	3	2818
X-RAY DIFFRACTION	r_scangle_it	2.319	4.5	2573
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 3.25→3.33 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.349	77	-
R_work	0.278	1587	-
obs	-	-	97.14 %

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	6.03	0.6207	-2.1775	2.577	-0.7643	0.9024	-0.4035	0.9286	-0.2894	-0.8796	0.2712	0.207	-0.3163	0.1015	0.1324	0.4645	0.0945	-0.0037	0.4386	0.0548	0.2261	9.209	-40.8712	-29.8547
2	4.8017	-2.8961	-1.7949	1.9274	1.6787	2.6381	-0.0136	-0.2371	0.2134	0.2439	0.0414	-0.3424	-0.1758	0.3671	-0.0278	0.3205	0.0158	-0.0138	0.3524	0.0081	0.3595	17.8444	-35.8793	-16.1509
3	5.4113	-6.9848	5.9567	9.0159	-7.6888	6.5571	0.0886	0.2597	-0.6158	-0.0955	-0.3651	-0.6518	0.2294	0.0369	0.2766	0.3945	-0.0091	-0.0435	0.3754	-0.1085	0.3848	28.8261	-49.6996	-14.5364
4	4.613	1.4236	-1.5104	0.9565	0.3926	1.9205	-0.1582	0.1537	-0.0427	0.0705	0.2172	-0.0332	0.101	0.1931	-0.0589	0.3441	-0.021	0.0055	0.3495	-0.0253	0.3343	7.7613	-39.777	-16.5603
5	2.2222	0.7301	1.121	1.4499	0.9264	3.1376	-0.394	0.2983	0.057	-0.5927	0.2428	0.0595	0.165	0.108	0.1512	0.3889	0.0273	0.0236	0.3317	-0.0664	0.349	8.705	-44.0215	-26.0655
6	3.3421	1.0018	-0.3287	6.7599	4.2067	2.9017	-0.0954	-0.0037	0.0736	-0.0396	-0.0803	0.4856	0.2159	-0.2898	0.1756	0.4709	0.0045	0.006	0.473	-0.035	0.448	-4.7656	-55.4549	-27.1917
7	5.1476	1.1341	-3.1897	5.6669	0.5759	2.8781	-0.3115	-0.0534	-0.3449	-0.1618	0.1692	-0.1197	-0.0584	0.1863	0.1423	0.3827	0.0506	0.0034	0.3994	-0.089	0.311	8.5652	-51.4173	-25.824
8	4.2518	2.7253	-3.4102	10.2954	0.5705	3.6238	1.5167	2.2303	-2.082	2.1768	0.4861	1.3109	0.7044	-1.0808	-2.0027	0.5658	-0.0171	-0.0302	0.4706	0.2291	0.7507	-7.9534	-56.6067	-12.5869
9	5.273	-1.0212	3.2926	0.5299	-0.8581	2.2024	0.5047	-0.3738	-0.5484	0.2311	-0.1564	0.3243	0.0988	-0.8092	-0.3483	0.6717	-0.0087	0.0149	0.5215	-0.0705	0.5695	-4.7178	-61.6505	-17.7111
10	0.0621	0.0295	-0.2759	0.7934	0.4222	1.6186	1.9284	-0.1554	-0.0628	0.8225	-0.2238	-1.321	-0.1133	1.8562	-1.7046	0.4023	0.0158	-0.0968	0.5613	0.0578	0.5999	13.6632	-58.7071	-19.8205
11	0.4929	-0.2119	-2.0135	4.5636	0.6665	8.2346	0.3509	-0.1489	-0.8442	0.278	-0.2985	0.2622	0.1004	0.3749	-0.0525	0.387	0.0344	-0.0293	0.4029	0.006	0.3406	4.034	-49.5084	-11.8229
12	1.4203	-0.6922	0.2739	5.9254	-2.016	1.8293	0.0604	0.0632	0.0742	0.1688	-0.0482	-0.0005	0.0547	0.1976	-0.0122	0.266	-0.0187	0.0051	0.3815	-0.0202	0.281	5.6126	-26.5932	-15.9019
13	1.7924	-1.1195	-1.3345	6.0223	0.8107	5.3082	-0.0025	-0.1135	0.1222	0.2734	0.0667	-0.0336	-0.0913	0.1409	-0.0642	0.3301	0.0426	-0.0021	0.3757	0.0155	0.2725	-1.0909	-20.4978	-13.5313
14	1.0392	-1.6615	2.0965	2.6564	-3.3519	4.2296	0.1233	-0.075	0.2043	-0.5167	0.1215	0.308	0.6247	-0.698	-0.2448	0.4252	0.009	0.0308	0.3674	0.0278	0.2988	-10.0712	-17.5886	-28.3168
15	5.7819	2.1175	-0.176	4.3679	1.5609	3.4245	0.0856	-0.1894	0.7257	-0.0807	0.1364	-0.3794	-0.207	0.4333	-0.222	0.4711	0.0076	0.0106	0.3915	0.0795	0.4171	-5.074	-1.5946	-40.1319
16	6.775	0.9046	0.8363	4.2838	2.2324	3.0351	0.175	-0.2128	0.2406	-0.2546	0.0574	0.1374	-0.2683	-0.393	-0.2324	0.437	-0.0265	0.0042	0.4252	0.1564	0.3318	-13.4595	-4.4571	-39.6648
17	0.2774	-0.1312	1.467	0.0621	-0.6938	7.7572	-0.0855	0.2742	0.1721	-0.2673	0.0339	0.0924	-0.2737	0.1491	0.0516	0.3881	0.0092	0.0266	0.3442	0.0279	0.3497	-6.6616	-11.6427	-26.2123
18	0.8385	-2.5387	1.8495	7.9503	-5.4238	4.1972	-0.2007	-0.594	0.333	0.3278	0.4654	0.2971	0.509	-0.7894	-0.2646	0.4148	-0.046	0.078	0.4228	0.0494	0.2918	-6.6729	-32.2379	-6.6612
19	2.8816	-0.1748	2.4219	5.378	-0.3404	2.0426	0.0497	-0.2508	-0.0784	0.1227	0.035	-0.2615	0.4172	0.6328	-0.0847	0.5257	0.0316	-0.004	0.4873	0.0512	0.3848	7.1899	-46.1795	-0.8944
20	1.0398	0.664	-0.9701	4.7134	0.917	4.2913	-0.2992	1.3815	-0.433	-0.431	0.4445	0.1283	-0.1748	0.4818	-0.1453	0.6326	-0.1763	-0.0169	0.4071	0.0302	0.3532	16.5897	-72.4115	-3.0781
21	1.4603	0.9656	-0.4311	5.1727	-0.5474	2.3901	-0.102	0.1989	-0.207	-0.0571	0.1286	-0.1743	0.1471	0.1919	-0.0266	0.4381	0.0208	0.0096	0.4479	0.0059	0.4479	20.5257	-80.6563	9.2314
22	1.6894	-0.1423	-0.6004	3.0336	0.9294	0.5594	-0.101	-0.0169	-0.292	0.0089	0.0616	0.3872	0.2709	0.0372	0.0394	0.4204	-0.0533	-0.0306	0.3059	0.0196	0.4357	13.6935	-79.5433	9.0787
23	3.7514	-1.9819	-1.6958	3.7775	1.9768	1.7411	0.0607	0.2093	0.0134	-0.2824	-0.1158	0.2369	-0.2385	-0.2494	0.0551	0.5057	-0.0511	-0.0432	0.4527	0.0317	0.4496	7.2154	-72.0376	-0.3285
24	5.7274	3.894	-0.8143	2.7945	0.1579	3.5596	-0.0582	0.1319	-0.0947	-0.6404	0.1828	0.809	-0.0015	-0.2908	-0.1246	0.5223	-0.0683	-0.3164	0.2419	0.1328	0.4671	-0.465	-74.238	-1.4838
25	8.3503	-7.2031	-2.3211	6.2136	2.0022	0.6452	0.2957	-0.1696	-0.1762	0.3167	-0.1188	0.779	-0.4798	-0.6155	-0.177	0.5707	-0.0155	-0.0543	0.638	0.0506	0.7021	-3.423	-62.1792	11.2382
26	3.591	3.5264	-0.8872	4.6711	-3.8177	7.4052	-0.2951	-1.1814	0.8235	-0.5045	0.3794	0.7033	-0.0372	-0.4511	-0.0843	0.2983	-0.2236	-0.069	0.6192	0.0216	0.7967	-6.2796	-75.2589	8.0231
27	6.1622	-0.2262	1.7545	0.6308	-1.6374	4.4743	0.2028	-0.1954	0.3197	0.7364	-0.1021	0.7532	0.7125	-0.3411	-0.1008	0.4423	-0.1142	0.0377	0.3977	0.2129	0.4399	5.4777	-71.7646	11.7755
28	3.2625	2.233	-1.2189	5.0187	-1.8495	3.5225	-0.0027	-0.1004	0.042	0.4198	0.2162	0.3782	0.4626	-0.4057	-0.2135	0.4221	-0.0468	0.0428	0.3512	0.0254	0.3332	11.6548	-71.9396	15.6078
29	2.7341	-0.5795	-0.2872	1.2105	-1.4845	3.3953	0.1357	0.3511	-0.0341	-0.1854	0.0285	-0.0071	0.3431	0.4758	-0.1643	0.44	-0.005	-0.0385	0.3364	-0.1132	0.3586	34.3414	-57.7581	1.7693
30	1.0669	0.9041	-0.5295	3.7411	-2.7677	4.1434	0.0183	0.0358	-0.0607	0.1215	0.2096	0.022	-0.1782	-0.1899	-0.2279	0.3445	0.0152	-0.0012	0.3745	-0.0903	0.2817	28.964	-46.5797	0.0491
31	6.4239	0.487	-0.9637	2.8802	1.6852	3.1305	-0.0952	0.1305	0.3249	0.1765	-0.1424	-0.2204	-0.1558	0.2833	0.2375	0.412	-0.0191	-0.0377	0.3893	0.0692	0.3229	39.9667	-33.9869	-15.2277
32	0.5633	0.5548	0.4334	3.2854	-3.2679	5.3174	-0.0113	0.1631	-0.2183	0.0425	-0.2836	-0.1457	-0.2487	0.0597	0.2949	0.3308	0.0339	-0.0578	0.3673	-0.0859	0.3379	32.8243	-44.2453	-3.5403
33	1.4128	-0.2841	0.1133	0.5776	0.6675	0.9245	0.0261	-0.7532	0.0357	0.6648	-0.0224	0.0964	0.3352	-0.2647	-0.0038	0.483	-0.1	0.122	0.4475	-0.0084	0.3333	13.2465	-63.0929	21.6897
34	4.1558	-2.522	1.4486	2.7199	0.4359	1.9588	-1.1177	-0.7676	0.7489	-0.1492	0.622	0.0017	0.7083	-0.1377	0.4957	0.9428	0.3886	-0.0353	0.6059	-0.1961	-0.0578	21.8496	-87.1012	-25.6441
35	4.7929	-3.2043	1.2867	3.8174	-0.1171	0.6751	-0.127	0.0808	0.8464	0.0278	-0.1114	-0.8116	0.0584	0.6278	0.2384	0.5438	0.004	-0.0499	0.5107	-0.0101	0.5218	23.9676	-80.748	-37.5985
36	7.7179	-0.8836	0.2311	0.3975	-0.2782	3.1849	-0.4103	-0.1186	-0.2839	0.6082	0.2941	0.4935	-0.0228	-0.3216	0.1162	0.4754	0.0753	0.0899	0.3919	-0.0927	0.1572	11.2579	-83.8741	-39.958
37	0.0159	0.0051	-0.3122	0.0017	-0.101	6.1276	0.3014	0.4342	1.3856	1.8286	-1.0243	-1.1004	0.6256	-1.2337	0.723	0.7479	0.2825	-0.2041	0.407	-0.0519	0.4865	24.1865	-89.1944	-30.6476
38	2.8718	0.7135	2.7553	5.6111	-1.3337	3.3932	0.3694	0.0293	-0.4917	1.269	-0.4623	0.0272	0.3447	-0.66	0.0929	0.6074	-0.0458	0.5055	0.4712	0.3225	0.3521	14.0838	-104.7706	-30.0633
39	4.1944	-0.3374	0.0616	4.4789	3.1854	2.2872	0.0051	-0.4788	-0.2137	-0.2789	0.0692	0.2982	-0.3495	0.0786	-0.0743	0.7139	0.0489	0.0695	0.5749	0.1493	0.4546	16.3618	-98.8637	-33.6145
40	2.936	-1.1488	2.4878	1.6776	-2.39	3.7421	-0.3147	-0.2275	0.0101	0.4599	0.4971	-0.1674	0.0013	-0.1395	-0.1825	0.665	-0.033	0.0345	0.682	0.013	0.6825	11.714	-107.3571	-41.8685
41	0.5429	0.3496	-1.2462	6.1097	4.0729	6.9	-0.9794	0.7093	-0.0151	0.8524	-0.0577	1.43	0.4792	-0.7391	1.0371	0.6519	0.0931	0.3744	0.3933	0.097	0.1609	15.5238	-95.0113	-37.8794
42	3.9251	-0.7866	0.9456	0.2218	-0.5937	2.772	-0.5526	0.095	-0.0521	0.2645	0.1101	0.2722	0.1564	0.0637	0.4425	0.2558	0.0532	-0.0336	0.456	0.008	0.2603	27.834	-90.7457	-41.7593
43	1.3639	-1.4763	-1.8504	6.7395	0.5861	3.073	-0.2124	0.2011	0.68	-0.0011	-0.332	0.3511	-0.4077	0.7243	0.5444	0.4757	0.0479	-0.1453	0.5729	0.0888	0.3868	46.6554	-80.205	-30.3932
44	1.3022	-0.026	2.0365	0.3226	-0.0761	3.189	1.2873	1.3005	0.1563	0.5784	-0.7525	-0.0056	0.5513	0.7716	-0.5348	0.3161	-0.1346	-0.1279	0.5765	0.0257	0.4297	55.4366	-89.8483	-22.1109
45	0.7523	0.8048	-0.1785	6.4699	-6.6064	7.3801	0.3249	0.1174	1.4006	0.1666	-0.6846	0.3796	-0.23	-0.2502	0.3597	0.5134	-0.1548	-0.2633	0.2405	0.048	0.6675	66.8081	-75.4326	-10.4094
46	4.748	-0.3423	2.2717	0.1867	-0.2333	1.1167	0.0589	1.0421	0.2318	0.1268	-0.1286	-0.1611	-0.0079	0.8048	0.0697	0.4799	-0.0052	-0.2412	0.4111	0.1326	0.4006	60.1897	-86.6771	-21.9755
47	4.6802	1.0583	-2.2675	6.234	0.9672	5.0542	0.0692	-0.2102	0.0005	0.0101	0.0504	0.0477	-0.1613	0.0593	-0.1196	0.4451	-0.0159	-0.0008	0.5023	0.0038	0.328	28.4177	-93.5724	-50.7658

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	119 - 132
2	X-RAY DIFFRACTION	2	A	133 - 154
3	X-RAY DIFFRACTION	3	A	155 - 165
4	X-RAY DIFFRACTION	4	A	166 - 187
5	X-RAY DIFFRACTION	5	A	188 - 201
6	X-RAY DIFFRACTION	6	A	202 - 212
7	X-RAY DIFFRACTION	7	A	213 - 235
8	X-RAY DIFFRACTION	8	A	236 - 242
9	X-RAY DIFFRACTION	9	A	243 - 255
10	X-RAY DIFFRACTION	10	A	256 - 268
11	X-RAY DIFFRACTION	11	A	269 - 288
12	X-RAY DIFFRACTION	12	A	289 - 322
13	X-RAY DIFFRACTION	13	A	323 - 340
14	X-RAY DIFFRACTION	14	A	341 - 356
15	X-RAY DIFFRACTION	15	A	357 - 373
16	X-RAY DIFFRACTION	16	A	374 - 394
17	X-RAY DIFFRACTION	17	A	395 - 410
18	X-RAY DIFFRACTION	18	A	411 - 426
19	X-RAY DIFFRACTION	19	A	427 - 437
20	X-RAY DIFFRACTION	20	B	120 - 137
21	X-RAY DIFFRACTION	21	B	138 - 154
22	X-RAY DIFFRACTION	22	B	155 - 188
23	X-RAY DIFFRACTION	23	B	189 - 203
24	X-RAY DIFFRACTION	24	B	204 - 231
25	X-RAY DIFFRACTION	25	B	232 - 244
26	X-RAY DIFFRACTION	26	B	245 - 266
27	X-RAY DIFFRACTION	27	B	267 - 285
28	X-RAY DIFFRACTION	28	B	286 - 300
29	X-RAY DIFFRACTION	29	B	301 - 324
30	X-RAY DIFFRACTION	30	B	325 - 361
31	X-RAY DIFFRACTION	31	B	362 - 391
32	X-RAY DIFFRACTION	32	B	392 - 414
33	X-RAY DIFFRACTION	33	B	415 - 435
34	X-RAY DIFFRACTION	34	C	123 - 137
35	X-RAY DIFFRACTION	35	C	138 - 146
36	X-RAY DIFFRACTION	36	C	147 - 174
37	X-RAY DIFFRACTION	37	C	175 - 189
38	X-RAY DIFFRACTION	38	C	190 - 222
39	X-RAY DIFFRACTION	39	C	223 - 239
40	X-RAY DIFFRACTION	40	C	245 - 265
41	X-RAY DIFFRACTION	41	C	266 - 279
42	X-RAY DIFFRACTION	42	C	280 - 309
43	X-RAY DIFFRACTION	43	C	310 - 337
44	X-RAY DIFFRACTION	44	C	338 - 359
45	X-RAY DIFFRACTION	45	C	360 - 375
46	X-RAY DIFFRACTION	46	C	376 - 419
47	X-RAY DIFFRACTION	47	C	420 - 437

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