PDB-5otb: Structure of caprine serum albumin in P1 space group

ID or keywords:

Entry

Database: PDB / ID: 5otb

Title

Structure of caprine serum albumin in P1 space group

Components

Albumin

Keywords

TRANSPORT PROTEIN / caprine serum albumin / goat serum albumin / P1

Function / homology

Function and homology information

lipid binding /

extracellular space /

metal ion binding
Similarity search - Function

Biological species

Capra hircus (goat)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.5 Å

Authors

Talaj, J.A. / Bujacz, A. / Bujacz, G.

Funding support

Poland, 1items

Citation

Journal: Acta Crystallogr D Struct Biol / Year: 2017
Title: Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid.
Authors: Bujacz, A. / Talaj, J.A. / Zielinski, K. / Pietrzyk-Brzezinska, A.J. / Neumann, P.

History

Deposition	Aug 21, 2017	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 8, 2017	Provider: repository / Type: Initial release
Revision 1.1	Nov 22, 2017	Group: Database references / Category: citation Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2	Jan 17, 2024	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	5otb.cif.gz	922.5 KB	Display	PDBx/mmCIF format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ot/5otb ftp://data.pdbj.org/pub/pdb/validation_reports/ot/5otb	HTTPS FTP

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Related structure data

Related structure data	5orfC 5oriSC 5oswC C: citing same article (ref.) S: Starting model for refinement
Similar structure data	6ocj-d 4la0-2 6u4x-d 4g03-2 4l9k-2 1bm0-1 5orf-1 4iw1-d 3lu6-2 2xw0-1 3lu8-1 5yxe-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

Related structure data

5orfC

5oriSC

5oswC

C: citing same article (ref.)

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#37 - Jan 2003 Serum Albumin similarity (9) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (9) #186 - Jun 2015 Receptor for Advanced Glycation End Products similarity (9) #155 - Nov 2012 Vitamin D Receptor similarity (8) #205 - Jan 2017 Nuclear Pore Complex similarity (1)

Deposited unit

A: Albumin

B: Albumin

C: Albumin

D: Albumin

hetero molecules

268 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Albumin

hetero molecules

defined by author
Evidence: gel filtration
66.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Albumin

hetero molecules

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

3

C: Albumin

hetero molecules

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

4

D: Albumin

hetero molecules

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

Unit cell

Length a, b, c (Å)	78.750, 80.930, 110.530
Angle α, β, γ (deg.)	90.01, 75.90, 72.22
Int Tables number	1
Space group name H-M	P1

#1: Protein	Albumin / / Caprine serum albumin Mass: 66412.797 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Capra hircus (goat) / Plasmid details: serum plasma / Tissue: Blood / References: UniProt: B3VHM9
#2: Chemical	ChemComp-PGE / TRIETHYLENE GLYCOL / Polyethylene glycol Mass: 150.173 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₆H₁₄O₄
#3: Chemical	ChemComp-PRO / PROLINE / Proline Type: L-peptide linking / Mass: 115.130 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C₅H₉NO₂
#4: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol Mass: 106.120 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 482 / 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: 2.44 Å³/Da / Density % sol: 49.61 % / Description: plate
Crystal grow	Temperature: 283 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 0,2M L-Proline, Hepes pH 7,5, 24% PEG 1500

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: BESSY / Beamline: 14.2 / Wavelength: 0.9184 Å
Detector	Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 25, 2013 / Details: mirrors
Radiation	Monochromator: S 111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9184 Å / Relative weight: 1
Reflection	Resolution: 2.5→50 Å / Num. obs: 85355 / % possible obs: 98.1 % / Redundancy: 3.15 % / CC_1/2: 0.998 / R_merge(I) obs: 0.059 / Net I/σ(I): 12.97
Reflection shell	Resolution: 2.5→2.6 Å / Redundancy: 3.11 % / R_merge(I) obs: 0.703 / Mean I/σ(I) obs: 1.98 / Num. unique obs: 9218 / CC_1/2: 0.596

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Processing

Software

Name	Version	Classification
REFMAC	5.7.0032	refinement
XDS		data reduction
XDS		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5ORI

5ori

Resolution: 2.5→40 Å / Cor.coef. F_o:F_c: 0.957 / Cor.coef. F_o:F_c free: 0.925 / SU B: 19.529 / SU ML: 0.206 / Cross valid method: THROUGHOUT / ESU R: 0.82 / ESU R Free: 0.298 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.24595	1708	2 %	RANDOM
R_work	0.19749	-	-	-
obs	0.19845	83645	98.15 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 64.673 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	3.6 Å²	-0.29 Å²	-1.21 Å²
2-	-	-0.27 Å²	-0.57 Å²
3-	-	-	-3.12 Å²

Refinement step

Cycle: 1 / Resolution: 2.5→40 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	18511	0	132	482	19125

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.019	0.019	19097
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	2.147	1.98	25800
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.653	5	2322
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.72	24.955	880
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	20.49	15	3488
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	22.977	15	88
X-RAY DIFFRACTION	r_chiral_restr	0.133	0.2	2832
X-RAY DIFFRACTION	r_gen_planes_refined	0.01	0.021	14232
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	5.312	4.565	9326
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	7.78	6.829	11631
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	6.222	4.835	9771
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other
X-RAY DIFFRACTION	r_long_range_B_refined	12.345	38.578	30544
X-RAY DIFFRACTION	r_long_range_B_other
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 2.5→2.565 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.324	121	-
R_work	0.273	5886	-
obs	-	-	93.45 %

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	2.0086	0.0651	0.9268	0.4917	0.5756	1.0461	-0.0084	0.1922	0.1038	-0.111	0.1402	-0.1684	-0.105	0.2108	-0.1318	0.142	-0.001	0.0269	0.1898	-0.0499	0.2377	74.4702	28.4541	42.5451
2	0.0776	0.058	0.3987	0.0533	0.2612	2.2334	-0.0038	-0.0104	-0.0294	-0.0227	-0.0333	-0.0512	0.0323	-0.0287	0.0371	0.1552	0.0553	-0.0124	0.1515	-0.022	0.2348	55.2248	22.0578	37.4729
3	1.527	0.7968	0.5646	1.5546	0.3262	0.3912	0.0836	-0.045	0.0698	0.2071	-0.1379	0.1818	0.0433	-0.0978	0.0543	0.1572	0.0006	-0.0028	0.1644	-0.0159	0.2215	50.2126	20.2043	46.8253
4	1.0317	0.223	0.4084	0.205	0.1592	0.2138	0.0893	-0.0582	0.1017	0.1203	-0.1503	-0.0026	0.0902	-0.0557	0.061	0.1907	-0.0608	-0.0012	0.2086	-0.0115	0.1955	59.9922	35.423	64.0442
5	1.7299	-0.0204	-0.9998	0.485	0.3546	1.1403	0.1114	-0.0562	0.0192	0.1661	-0.0785	0.0785	0.1321	0.0061	-0.0329	0.2218	-0.0202	-0.0032	0.1198	0.0393	0.1771	58.1467	20.8986	65.7366
6	0.9589	-0.798	-0.0793	1.7402	-0.4533	0.2699	-0.1294	0.0194	-0.0025	0.0253	0.0414	-0.1605	0.0446	-0.08	0.088	0.1404	-0.0815	0.0575	0.2672	-0.0841	0.1011	51.3508	43.1518	81.2227
7	0.5754	0.8014	-0.5387	1.9928	0.2163	2.0831	-0.1486	0.1385	0.1256	-0.0921	0.3013	0.0111	0.1104	-0.1293	-0.1527	0.0727	-0.0011	-0.0679	0.3075	-0.0905	0.21	46.9937	49.7709	74.5072
8	1.6492	1.0926	3.7482	1.9799	3.2128	8.9485	-0.0461	-0.3416	0.1433	-0.0579	-0.2894	0.1866	-0.0814	-0.7551	0.3354	0.0201	-0.0345	0.046	0.391	-0.1666	0.1636	34.2096	44.6133	65.5327
9	1.0107	-0.2366	0.2547	2.7782	-2.8548	3.1465	0.049	-0.3321	0.151	0.3143	-0.1848	-0.0449	-0.4186	-0.0745	0.1358	0.2117	0.0635	0.0074	0.3734	-0.1539	0.1699	35.3113	44.8514	43.1955
10	0.6976	-0.2458	-0.2417	0.1292	0.2638	1.0567	-0.0539	-0.0325	0.1843	0.0103	-0.0539	-0.0559	0.041	-0.1129	0.1078	0.1507	-0.0031	0.0029	0.2	-0.0304	0.2129	42.7707	38.9287	50.0856
11	0.9906	-1.2622	0.7425	4.2427	-2.9534	2.09	0.0161	0.0552	0.3381	0.2915	-0.0297	-0.1139	-0.2421	-0.0134	0.0135	0.2081	0.0226	-0.0349	0.1147	-0.0029	0.2609	44.5731	53.471	50.2364
12	1.1481	0.4279	1.137	0.938	1.6065	2.9231	-0.0444	0.278	0.1567	-0.1305	0.0023	-0.0112	-0.2108	0.1343	0.0421	0.1709	0.0585	0.0082	0.1589	-0.0302	0.205	35.7562	42.4661	30.1791
13	1.1204	-1.1457	-0.9767	5.5062	3.7403	5.2106	-0.0499	0.0923	0.1595	-0.3019	-0.0076	0.5224	-0.2141	-0.1806	0.0575	0.059	0.0456	-0.0496	0.2277	-0.0292	0.2376	25.6071	41.3028	25.5931
14	0.6508	-0.0915	-0.0332	1.9106	0.8051	0.3396	0.0258	0.0315	-0.0895	0.2705	0.1623	-0.4471	0.1125	0.073	-0.188	0.1123	0.0019	0.0305	0.197	-0.0906	0.2628	54.8384	-0.0493	5.7731
15	0.8224	0.4484	0.9158	1.4668	0.5205	1.0283	0.0346	-0.0332	-0.0646	0.0724	0.0323	-0.1259	0.0626	-0.0052	-0.0668	0.1383	-0.0224	0.0781	0.2174	-0.0476	0.1803	47.5693	15.1054	17.9401
16	0.7122	0.3789	0.2584	0.339	0.0831	0.6187	0.0095	-0.139	0.0363	-0.0957	-0.0958	0.0158	-0.0886	-0.0235	0.0863	0.1495	-0.0033	0.049	0.2185	-0.0417	0.1956	40.6569	20.7953	11.891
17	0.5663	0.3354	0.4879	0.3176	0.4503	0.808	-0.0831	-0.0131	-0.0563	-0.1546	0.0681	0.0067	-0.0815	0.0766	0.015	0.2333	-0.0197	-0.0023	0.1858	-0.0341	0.1466	30.8245	5.1902	-4.9063
18	1.8746	-0.1151	1.16	1.1441	0.6146	1.3079	-0.1554	0.1181	0.29	-0.2031	0.0699	-0.1485	-0.042	0.0885	0.0855	0.2776	-0.0858	0.0506	0.1406	0.0054	0.1176	36.6998	18.2228	-8.1577
19	0.8361	0.7162	-0.24	1.3957	-1.0278	0.9421	-0.263	0.1357	0.0015	-0.0923	0.1965	-0.0836	-0.0332	-0.0953	0.0665	0.2286	0.0452	-0.0685	0.1996	-0.0589	0.1359	12.5661	5.916	-14.2751
20	0.0604	0.0194	-0.1772	0.0312	-0.1309	0.772	-0.0887	0.0151	-0.0097	0.0302	-0.0203	-0.0056	0.0459	-0.0694	0.1091	0.209	0.0147	-0.0035	0.2665	-0.0918	0.2575	9.3751	1.7945	-5.3146
21	1.0219	1.1945	1.3459	1.5666	2.1267	3.5716	0.0489	-0.166	-0.0314	-0.0147	-0.2076	0.027	-0.1372	-0.2868	0.1586	0.1206	0.1217	-0.0558	0.2097	-0.1248	0.2224	7.6372	12.178	7.206
22	3.13	-0.6947	1.9025	5.5394	-1.3814	1.3727	-0.0349	-0.2625	-0.1249	-0.0415	0.021	0.2279	-0.0314	-0.194	0.0139	0.1338	-0.0243	0.0671	0.231	-0.0667	0.2219	18.4626	8.6661	25.9837
23	0.5429	-0.3546	0.5076	1.0771	-0.3559	1.4132	-0.0649	-0.1257	-0.0461	-0.1039	-0.0908	0.0316	0.0172	-0.1547	0.1557	0.1493	-0.0057	0.0203	0.18	-0.0204	0.1838	23.82	10.0902	15.6415
24	0.9891	0.5432	-1.535	2.2772	-0.8765	2.3844	-0.0435	0.1461	-0.0996	0.0318	-0.1051	0.024	0.0825	-0.2247	0.1486	0.1463	-0.0756	0.051	0.1813	-0.0364	0.1899	16.5891	-2.51	17.3268
25	2.0622	-0.0142	0.1757	0.6136	0.5643	0.5416	-0.0598	-0.3679	0.0125	0.1663	-0.0759	0.1258	0.1509	-0.0765	0.1357	0.16	-0.091	0.0626	0.3215	0.027	0.1338	26.0799	8.148	36.9291
26	2.1284	-0.4976	1.6759	0.3316	0.015	3.3597	0.0731	-0.3668	-0.1037	0.091	-0.0782	0.163	0.2244	-0.2673	0.0051	0.1161	-0.0655	0.0816	0.2937	-0.0914	0.1564	21.8287	14.1158	45.055
27	1.6604	0.2325	-0.9552	0.1799	-0.2841	0.7079	0.02	0.1611	0.0128	-0.0061	0.1415	0.1738	0.0138	-0.22	-0.1614	0.1825	-0.0142	0.0487	0.1318	0.0988	0.2586	63.3474	39.5569	103.4783
28	0.5477	0.0187	0.0465	0.0213	-0.0058	0.0159	0.0006	0.039	0.0725	-0.0521	0.0006	0.0469	0.0339	-0.0313	-0.0012	0.288	0.012	-0.0031	0.166	0.0182	0.1801	77.9863	47.8456	91.3759
29	0.6445	0.2691	-0.3753	1.515	-1.2132	1.0399	0.0282	-0.0412	0.0611	0.0779	-0.0914	-0.1371	-0.0338	0.0204	0.0632	0.2136	-0.0149	0.0199	0.1528	0.0358	0.1568	86.8484	48.5359	97.4142
30	0.1765	-0.3327	0.4033	1.1863	-0.6018	0.989	0.0552	-0.0233	0.0017	0.1245	-0.0744	0.0771	0.1542	-0.0574	0.0191	0.2008	-0.0379	0.0316	0.164	0.0534	0.1994	85.889	30.0255	114.1984
31	2.2892	0.0447	0.3148	0.9954	-0.8382	0.9079	0.0805	-0.0747	0.0115	0.2553	-0.0729	-0.0559	-0.1537	0.04	-0.0077	0.2451	-0.0562	0.0226	0.1147	-0.0026	0.1513	88.7671	44.1034	117.4125
32	0.0231	-0.1954	-0.1461	1.8863	1.4361	1.1026	-0.0221	0.0054	-0.0017	0.0146	-0.0585	0.057	-0.0135	-0.0189	0.0806	0.1167	-0.0284	-0.0696	0.2116	0.122	0.2059	100.8102	19.995	123.5728
33	0.5968	0.2177	0.4421	1.3795	-0.4674	0.7539	-0.1516	0.1338	0.026	0.0519	0.0085	-0.2284	-0.0052	0.0647	0.1431	0.2052	-0.02	0.0482	0.2512	0.0855	0.2176	101.0435	14.8607	114.5772
34	0.2289	-0.2369	0.1003	0.2931	-0.053	0.1132	0.0795	0.1036	0.0316	-0.0509	-0.1254	0.0035	0.118	0.0715	0.0458	0.1577	0.0715	0.0087	0.2586	0.1765	0.2208	108.8323	21.9968	101.773
35	1.5477	1.8797	1.5279	2.7318	1.0507	2.9785	0.1792	-0.0526	-0.0285	0.1778	-0.2572	-0.0588	0.2762	0.2651	0.0779	0.279	0.048	0.0113	0.1895	0.0241	0.2402	97.8553	25.6067	83.1598
36	2.2689	1.8919	0.8768	1.7706	0.5422	2.0605	0.1118	-0.0131	0.0153	0.1875	-0.2031	0.0659	0.0214	0.1573	0.0913	0.21	-0.0297	0.0229	0.189	0.0212	0.2093	94.5371	29.8513	93.5727
37	1.7714	1.5331	-0.5335	2.6871	2.2717	5.7067	0.0904	-0.1441	-0.2981	0.2923	-0.1284	-0.2879	0.5325	0.0537	0.0379	0.3001	0.0572	0.0002	0.0432	0.0531	0.197	92.8809	15.4531	91.8676
38	1.0607	-0.4364	-0.2935	2.4323	-1.3619	1.0606	0.0466	0.1177	-0.0688	-0.362	-0.1523	-0.0681	0.2087	0.029	0.1057	0.2955	0.0581	-0.0101	0.1754	0.0379	0.1313	91.7088	30.196	72.1776
39	0.8746	-0.1951	1.1794	0.229	-0.4918	1.8914	0.038	0.2469	-0.091	-0.2328	-0.0551	-0.099	0.2981	0.2856	0.0171	0.3263	0.072	0.1249	0.2083	0.0272	0.1601	97.9858	32.2083	64.1385
40	0.1727	-0.2621	-0.076	1.475	-0.5997	0.7078	0.027	-0.0721	-0.0162	0.3026	0.1223	0.2052	-0.2463	-0.1043	-0.1494	0.1257	0.0465	0.0578	0.2252	0.0249	0.2531	63.3266	74.5335	66.7572
41	0.3276	-0.1065	-0.3494	0.076	0.0464	0.5446	-0.0116	-0.0919	-0.0045	0.061	0.0554	0.0648	-0.1043	-0.0244	-0.0438	0.1301	0.0081	0.0092	0.225	0.0586	0.2324	75.312	58.2428	71.9693
42	0.6552	0.2345	0.2441	2.2877	-1.3345	1.4355	-0.0195	-0.0668	-0.0531	-0.2737	0.0313	-0.0618	0.1431	-0.0013	-0.0118	0.1057	0.0238	0.0364	0.1764	0.0385	0.2167	78.4117	53.6707	62.5753
43	0.0644	-0.2216	0.1577	0.8746	-0.6137	0.4527	-0.0062	-0.009	0.0382	-0.1243	0.0184	-0.0463	0.0458	0.0049	-0.0122	0.1996	0.0303	0.0129	0.1727	0.0105	0.2035	79.4703	71.9286	45.4415
44	0.5489	-0.5631	-0.5972	1.3701	-0.1982	1.9221	-0.0719	0.0291	0.0502	-0.1848	0.163	-0.0342	0.2242	-0.0826	-0.0911	0.1822	-0.0584	-0.0486	0.1559	0.015	0.1629	72.5402	58.8804	43.6705
45	0.9501	0.5534	1.3008	0.3427	0.7991	1.8816	0.0195	0.022	0.0477	0.0667	-0.0282	-0.002	0.1518	-0.0604	0.0087	0.294	0.0348	0.0743	0.2053	0.0527	0.1596	91.0239	72.9964	28.3563
46	0.3955	0.111	0.7012	1.4059	-0.4612	1.5958	-0.0241	0.0602	0.0897	0.0699	-0.2672	-0.1948	0.0462	0.2921	0.2913	0.1993	0.1251	0.0901	0.1803	0.0835	0.201	98.4684	75.9863	34.9278
47	0.4601	-0.6841	1.3353	4.8983	-4.6322	5.6989	0.1079	0.0895	0.091	-0.1095	-0.3004	-0.1168	0.2668	0.3193	0.1925	0.0996	0.128	0.091	0.2339	0.0563	0.2041	105.4703	64.3588	43.7905
48	0.1304	-0.0443	0.2966	1.2385	2.1386	4.8983	-0.0254	0.0126	0.0462	-0.1619	0.1294	-0.0957	-0.1485	0.3691	-0.104	0.1648	-0.0396	0.0066	0.1718	0.0331	0.2194	104.7436	65.2031	66.1692
49	0.3156	-0.0861	-0.5835	0.0257	0.1511	1.1623	0.0606	-0.0534	0.0703	-0.0342	0.0029	-0.0122	-0.0071	0.1498	-0.0635	0.1964	0.0419	0.0247	0.1795	0.0141	0.2133	95.1636	64.7582	59.4908
50	2.7416	1.4909	1.4196	3.639	2.05	1.3192	0.0644	0.0606	0.0643	-0.2281	0.0199	-0.2437	-0.1216	0.0436	-0.0843	0.2082	-0.0908	0.0334	0.1527	0.0426	0.1887	102.3832	77.405	59.1791
51	1.3534	-0.0089	0.3096	1.5402	-2.3343	3.6062	-0.1465	-0.1955	0.1716	0.1856	0.0284	-0.0591	-0.3078	-0.0657	0.1182	0.1091	0.0361	0.0234	0.2296	0.0005	0.1888	103.3422	63.4216	79.3008
52	1.5029	-0.5818	-0.1496	0.8211	1.0699	1.7382	0.0226	0.0355	-0.0649	0.0607	0.2538	-0.1661	0.078	0.3812	-0.2763	0.0822	0.0294	-0.0539	0.2943	0.0237	0.1794	110.8443	56.6805	83.4243

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	3 - 106
2	X-RAY DIFFRACTION	2	A	107 - 147
3	X-RAY DIFFRACTION	3	A	148 - 198
4	X-RAY DIFFRACTION	4	A	199 - 250
5	X-RAY DIFFRACTION	5	A	251 - 295
6	X-RAY DIFFRACTION	6	A	296 - 336
7	X-RAY DIFFRACTION	7	A	337 - 366
8	X-RAY DIFFRACTION	8	A	367 - 398
9	X-RAY DIFFRACTION	9	A	399 - 417
10	X-RAY DIFFRACTION	10	A	418 - 468
11	X-RAY DIFFRACTION	11	A	469 - 497
12	X-RAY DIFFRACTION	12	A	498 - 537
13	X-RAY DIFFRACTION	13	A	538 - 583
14	X-RAY DIFFRACTION	14	B	3 - 106
15	X-RAY DIFFRACTION	15	B	107 - 147
16	X-RAY DIFFRACTION	16	B	148 - 198
17	X-RAY DIFFRACTION	17	B	199 - 250
18	X-RAY DIFFRACTION	18	B	251 - 295
19	X-RAY DIFFRACTION	19	B	296 - 336
20	X-RAY DIFFRACTION	20	B	337 - 366
21	X-RAY DIFFRACTION	21	B	367 - 398
22	X-RAY DIFFRACTION	22	B	399 - 417
23	X-RAY DIFFRACTION	23	B	418 - 468
24	X-RAY DIFFRACTION	24	B	469 - 497
25	X-RAY DIFFRACTION	25	B	498 - 537
26	X-RAY DIFFRACTION	26	B	538 - 583
27	X-RAY DIFFRACTION	27	C	3 - 106
28	X-RAY DIFFRACTION	28	C	107 - 147
29	X-RAY DIFFRACTION	29	C	148 - 198
30	X-RAY DIFFRACTION	30	C	199 - 250
31	X-RAY DIFFRACTION	31	C	251 - 295
32	X-RAY DIFFRACTION	32	C	296 - 336
33	X-RAY DIFFRACTION	33	C	337 - 366
34	X-RAY DIFFRACTION	34	C	367 - 398
35	X-RAY DIFFRACTION	35	C	399 - 417
36	X-RAY DIFFRACTION	36	C	418 - 468
37	X-RAY DIFFRACTION	37	C	469 - 497
38	X-RAY DIFFRACTION	38	C	498 - 537
39	X-RAY DIFFRACTION	39	C	538 - 583
40	X-RAY DIFFRACTION	40	D	3 - 106
41	X-RAY DIFFRACTION	41	D	107 - 147
42	X-RAY DIFFRACTION	42	D	148 - 198
43	X-RAY DIFFRACTION	43	D	199 - 250
44	X-RAY DIFFRACTION	44	D	251 - 295
45	X-RAY DIFFRACTION	45	D	296 - 336
46	X-RAY DIFFRACTION	46	D	337 - 366
47	X-RAY DIFFRACTION	47	D	367 - 398
48	X-RAY DIFFRACTION	48	D	399 - 417
49	X-RAY DIFFRACTION	49	D	418 - 468
50	X-RAY DIFFRACTION	50	D	469 - 497
51	X-RAY DIFFRACTION	51	D	498 - 537
52	X-RAY DIFFRACTION	52	D	538 - 583

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