PDB-5orf: Structure of ovine serum albumin in P1 space group

ID or keywords:

Entry

Database: PDB / ID: 5orf

Title

Structure of ovine serum albumin in P1 space group

Components

Serum albumin

Keywords

TRANSPORT PROTEIN / ovine serum albumin / triclinic system

Function / homology

Function and homology information

enterobactin binding / blood microparticle / lipid binding / metal ion binding / cytoplasm
Similarity search - Function

Biological species

Ovis aries (sheep)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.54 Å

Authors

Talaj, J.A. / Bujacz, A. / Bujacz, G. / Pietrzyk-Brzezinska, A.J.

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 16, 2017	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 15, 2017	Provider: repository / Type: Initial release
Revision 1.1	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
Revision 1.2	Nov 20, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	5orf.cif.gz	915.5 KB	Display	PDBx/mmCIF format
PDB format	pdb5orf.ent.gz	768.3 KB	Display	PDB format
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Validation report

Summary document	5orf_validation.pdf.gz	513.2 KB	Display	wwPDB validaton report
Full document	5orf_full_validation.pdf.gz	591.6 KB	Display
Data in XML	5orf_validation.xml.gz	91.8 KB	Display
Data in CIF	5orf_validation.cif.gz	125.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/or/5orf ftp://data.pdbj.org/pub/pdb/validation_reports/or/5orf	HTTPS FTP

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Related structure data

Related structure data	5oriC 5oswC 5otbC 4lufS 4luh S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6ocl-d 5osw-d 4emx-2 5otb-1 4lb2-1 6mdq-d 5otb-2 4luh-d 4l9k-2 4jk4-1 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

S: Starting model for refinement

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	#258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (9) #37 - Jan 2003 Serum Albumin 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: Serum albumin

B: Serum albumin

C: Serum albumin

D: Serum albumin

hetero molecules

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

1

A: Serum albumin

hetero molecules

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

2

B: Serum albumin

hetero molecules

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

3

C: Serum albumin

hetero molecules

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

4

D: Serum albumin

hetero molecules

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

Unit cell

Length a, b, c (Å)	77.820, 78.050, 109.710
Angle α, β, γ (deg.)	89.81, 74.54, 73.15
Int Tables number	1
Space group name H-M	P1

#1: Protein	Serum albumin Mass: 66427.820 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Ovis aries (sheep) / Tissue: blood / References: UniProt: P14639
#2: Chemical	ChemComp-PGE / TRIETHYLENE GLYCOL Mass: 150.173 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₆H₁₄O₄
#3: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER Mass: 106.120 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#4: Chemical	ChemComp-PRO / PROLINE Type: L-peptide linking / Mass: 115.130 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C₅H₉NO₂
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 387 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.29 Å³/Da / Density % sol: 46.21 % / Description: plate
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 20% PEG3350, 0.2 M ammonium chloride, 0.1 M proline

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: PETRA III, EMBL c/o DESY / Beamline: P13 (MX1) / Wavelength: 1.07106 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Dec 18, 2013 / Details: mirrors
Radiation	Monochromator: Si 1 1 1 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.07106 Å / Relative weight: 1
Reflection	Resolution: 2.54→50 Å / Num. obs: 70636 / % possible obs: 90.1 % / Observed criterion σ(I): -3 / Redundancy: 3.64 % / R_merge(I) obs: 0.092 / Net I/σ(I): 11.36
Reflection shell	Resolution: 2.54→2.64 Å / Redundancy: 3.46 % / R_merge(I) obs: 0.694 / Mean I/σ(I) obs: 2.09 / Num. unique obs: 7502 / % possible all: 87.5

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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: 4LUF

4luf

Resolution: 2.54→49 Å / Cor.coef. F_o:F_c: 0.948 / Cor.coef. F_o:F_c free: 0.911 / SU B: 20.583 / SU ML: 0.217 / Cross valid method: THROUGHOUT / ESU R Free: 0.358 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.25758	1414	2 %	RANDOM
R_work	0.19563	-	-	-
obs	0.1969	69222	90.19 %	-

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: 54.284 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	3.25 Å²	-0.36 Å²	-2.02 Å²
2-	-	-1.18 Å²	0.54 Å²
3-	-	-	-2.26 Å²

Refinement step

Cycle: 1 / Resolution: 2.54→49 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	18580	0	162	387	19129

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.02	0.019	19188
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	2.119	1.979	25916
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.306	5	2328
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.886	24.978	892
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	20.726	15	3476
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	23.469	15	88
X-RAY DIFFRACTION	r_chiral_restr	0.136	0.2	2839
X-RAY DIFFRACTION	r_gen_planes_refined	0.009	0.021	14324
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	4.6	4.236	9357
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	6.819	6.341	11670
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	5.674	4.528	9831
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	11.278	35.897	30799
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: 2.54→2.606 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.357	99	-
R_work	0.269	4830	-
obs	-	-	84.82 %

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	0.4997	-0.1472	0.0962	0.4252	0.4869	0.7167	0.0245	0.1368	-0.0315	-0.1299	0.0999	-0.0941	-0.1617	0.2202	-0.1244	0.0694	-0.004	0.019	0.1465	-0.017	0.1476	74.9269	27.025	42.6956
2	1.1693	0.4942	0.2666	0.9234	0.881	0.8888	0.0389	0.0472	-0.0298	0.0035	-0.0826	0.0523	-0.0131	-0.0722	0.0437	0.1185	0.0223	-0.0135	0.0694	-0.0054	0.0681	55.2622	21.0698	37.0062
3	0.5489	0.2962	0.162	1.4714	0.0989	0.0503	0.1169	-0.0802	-0.0237	0.0523	-0.0904	0.0009	0.0394	-0.022	-0.0265	0.0622	0.0222	-0.0137	0.068	0.0038	0.1303	50.2615	18.8858	46.2185
4	0.4901	-0.1474	0.2615	0.1596	0.1194	1.0018	-0.0024	0.0356	-0.0243	0.0424	-0.0422	-0.0229	0.0076	0.1033	0.0446	0.0872	-0.0112	0.0275	0.0822	0.0093	0.1231	59.789	33.9153	63.6382
5	2.2405	-0.4307	-1.8607	1.3887	0.7661	2.7676	-0.0454	0.0316	-0.0121	0.1924	-0.0032	-0.048	0.19	0.001	0.0487	0.1077	0.0162	-0.0057	0.0095	0.0241	0.1042	58.4261	19.3922	65.2823
6	1.8944	2.3185	-0.2433	4.1011	-0.6779	0.9157	0.0297	-0.0512	0.0365	0.2234	-0.0884	-0.1147	0.1312	-0.0528	0.0587	0.0815	0.0023	-0.0005	0.111	0.0356	0.0995	51.2226	41.2949	80.2961
7	0.2018	-0.0642	0.1308	2.0911	0.8917	0.7702	-0.0526	0.0228	0.1302	-0.0849	-0.0973	0.2609	0.0639	-0.0968	0.1498	0.0936	-0.0165	-0.0506	0.1462	-0.0078	0.1714	46.8107	47.8706	73.42
8	0.8895	0.7646	1.9768	0.7974	1.6959	4.4326	0.0364	-0.1926	0.084	0.0573	-0.1542	0.1144	0.1331	-0.4275	0.1178	0.0459	0.0007	-0.0105	0.207	-0.0681	0.1564	34.2308	42.844	64.638
9	2.2829	3.5089	-1.1002	5.5836	-1.0837	2.4967	0.1432	0.0382	0.0178	0.2196	0.0114	-0.0058	-0.1291	-0.0643	-0.1546	0.0151	0.0261	-0.0023	0.172	-0.0296	0.1697	35.5668	43.6746	42.7652
10	0.1189	0.2048	0.139	0.8254	-0.621	2.0155	0.0575	-0.0202	-0.044	0.1021	-0.0651	-0.117	0.0729	-0.169	0.0076	0.0867	0.0037	0.0056	0.1262	0.0072	0.1054	42.9694	37.7345	49.4629
11	0.1581	-0.2058	-0.2649	2.9101	-1.3864	2.7244	-0.0832	-0.0693	0.0395	0.0296	0.1126	-0.2195	-0.2012	-0.2592	-0.0294	0.1351	0.1146	0.0043	0.1494	-0.0095	0.1261	44.4257	52.1097	50.2041
12	1.2443	1.2791	0.4561	2.6228	1.3614	0.7869	0.002	0.0759	0.1751	-0.0698	-0.0187	0.0502	-0.0471	-0.0934	0.0166	0.088	0.0352	0.0067	0.1582	-0.0311	0.093	35.8718	41.7559	29.4712
13	1.168	-0.8187	-0.4605	3.1007	1.2223	1.6221	-0.032	-0.0298	0.1108	-0.0678	0.0213	0.1448	-0.0777	-0.2037	0.0107	0.0152	0.0335	0.0018	0.1201	-0.0084	0.1285	25.873	40.9488	24.8287
14	0.5915	-0.3011	0.1655	0.6089	0.6441	1.2163	0.0347	-0.0637	-0.0034	0.1053	0.093	-0.0959	0.2039	0.0561	-0.1276	0.0654	0.0429	0.0236	0.1013	-0.0217	0.1568	55.0286	0.0223	4.5058
15	1.5091	1.3119	0.1029	2.0886	1.0063	0.8959	0.089	-0.2094	-0.089	0.1457	-0.0764	-0.0799	0.0757	0.1005	-0.0126	0.0573	-0.0029	-0.0006	0.1111	0.0257	0.1076	47.5588	14.727	17.2937
16	0.2038	0.0435	0.4277	0.1376	0.4325	1.8263	-0.0403	-0.0152	0.0164	-0.0436	0.052	0.0015	-0.2064	0.0926	-0.0117	0.0559	0.005	0.0607	0.109	-0.0139	0.127	40.8757	20.4804	11.1644
17	0.5183	0.0639	0.5288	0.896	-0.2336	1.7192	0.0161	0.1262	-0.0922	-0.2261	0.0335	0.0416	0.1884	0.0681	-0.0496	0.0771	-0.0006	0.0178	0.0968	-0.0007	0.1103	30.8258	5.3557	-5.657
18	2.1045	0.1066	0.2451	1.2948	-0.0278	1.623	-0.0735	0.2042	0.0996	-0.1718	0.0108	-0.073	-0.1295	0.1388	0.0626	0.1103	-0.0239	0.0278	0.0833	0.0182	0.0602	36.8882	18.337	-8.9536
19	0.5013	0.8092	-0.4629	1.3426	-0.8926	1.4827	-0.1053	0.0304	0.0022	-0.1123	-0.0075	-0.0332	-0.0754	0.0184	0.1128	0.0732	0.0086	-0.0162	0.109	0.0139	0.108	12.2472	6.3836	-14.4829
20	0.4354	0.4495	0.7801	1.3011	1.0785	1.7022	0.0515	-0.0819	0.0264	0.0771	-0.1385	0.1587	0.1063	-0.109	0.0871	0.0247	0.0165	0.0218	0.1167	-0.0278	0.1215	9.3921	2.2522	-5.5481
21	0.0982	-0.0025	-0.2117	0.1353	-0.0518	0.4853	-0.0154	0.1047	-0.0507	-0.0076	-0.0973	0.0216	0.0144	-0.1942	0.1127	0.0569	0.0301	0.0013	0.197	-0.0564	0.1594	8.0914	12.1485	6.9641
22	1.6087	1.4389	1.2993	4.6863	-0.6402	2.0078	-0.0093	-0.1925	0.0511	-0.0002	0.0742	0.2456	-0.0006	-0.2745	-0.0649	0.0412	0.0255	0.0488	0.1147	0.0009	0.1025	18.9963	8.0577	24.9928
23	0.3447	-0.1715	0.3867	1.5207	-0.1922	0.4417	0.0015	-0.0805	-0.0105	-0.1174	-0.0068	0.0749	0.0236	-0.0782	0.0053	0.0531	0.0051	0.0331	0.0864	0.0186	0.112	24.2856	9.6378	14.765
24	0.4492	0.1069	-0.1091	1.5761	-0.6654	0.2977	-0.054	0.1578	-0.1362	-0.1143	0.0389	-0.0446	0.063	-0.0676	0.0151	0.0825	-0.0352	-0.0207	0.1346	-0.0126	0.1544	16.5762	-2.7187	16.1422
25	0.6477	0.5314	0.2274	0.5964	0.4632	0.6523	0.1816	-0.0547	0.1711	0.1572	-0.0966	0.1253	0.0325	-0.0454	-0.085	0.127	-0.0239	0.0403	0.1127	-0.0171	0.1713	26.1824	7.5318	36.2242
26	1.5867	1.0011	0.8623	1.4958	1.4235	1.3711	-0.012	-0.2061	0.1162	0.177	-0.0354	0.0649	0.1574	-0.0117	0.0474	0.1287	-0.036	0.032	0.1747	-0.0121	0.0902	21.6777	13.2756	44.252
27	0.4263	0.2499	-0.0625	0.1732	-0.1197	0.4745	0.001	0.0527	0.0593	0.0049	0.0486	0.0835	0.0537	-0.1623	-0.0496	0.054	0.0113	0.0434	0.0992	-0.0007	0.1601	64.0296	38.2105	102.7791
28	0.6366	0.1246	-0.024	0.0303	0.0463	0.7023	0.0503	0.0843	0.0118	0.0054	-0.005	0.0117	-0.0577	-0.0793	-0.0453	0.0871	0.0378	0.0343	0.0794	0.008	0.1133	78.2012	46.4109	89.8449
29	0.3926	0.2561	0.0788	1.1529	-0.2199	0.8643	0.0299	-0.0423	0.0037	0.0609	-0.0808	-0.0933	-0.1027	0.0127	0.0509	0.0708	0.0339	0.0515	0.0765	0.002	0.1249	87.0515	47.6155	95.8477
30	0.8266	-0.405	0.1782	0.3729	-0.1144	0.5886	0.0496	-0.0661	0.0337	0.0555	-0.0678	-0.0052	0.0846	-0.0698	0.0182	0.1047	-0.0277	0.0266	0.0958	0.0264	0.1067	87.3228	29.5428	112.8201
31	0.591	0.0517	0.3673	1.0634	-0.1703	0.7741	-0.1802	0.0049	0.1176	0.0634	0.1073	-0.0699	-0.173	-0.0207	0.0729	0.13	-0.0005	-0.0134	0.0558	-0.0289	0.0892	89.3349	43.7326	116.0826
32	0.3482	0.3259	0.4862	1.7428	0.4435	1.3017	-0.0878	-0.1276	0.0057	0.0205	0.0362	-0.034	-0.0473	0.0088	0.0516	0.0516	0.048	0.0051	0.1392	0.0325	0.1219	103.0023	20.3362	121.614
33	0.246	-0.527	-0.1437	2.9015	-1.4087	2.1332	-0.0394	0.0039	-0.028	-0.182	0.0014	-0.1401	0.1631	-0.0889	0.038	0.0719	0.0221	0.0303	0.1	0.0457	0.1672	102.8816	15.2533	112.773
34	0.086	-0.4491	0.5288	3.0643	-3.1531	4.1608	-0.0399	0.0117	0.0095	0.0055	-0.1777	-0.222	-0.0092	0.1292	0.2175	0.0488	0.0226	0.0363	0.1593	0.0669	0.1496	109.7776	22.3083	99.9843
35	0.8804	1.35	0.9427	3.3641	0.0389	2.5471	0.1284	-0.0931	-0.0692	0.1611	-0.1473	-0.1859	0.1351	-0.1093	0.0189	0.0663	0.0368	0.0208	0.0767	-0.0013	0.1105	98.6276	24.8511	82.0283
36	0.6506	-0.2126	-0.0095	0.2615	-0.3825	0.8741	-0.0194	0.0336	0.0494	-0.0067	-0.0477	-0.0161	0.0064	-0.0107	0.0671	0.0649	0.0245	0.0083	0.0865	-0.0058	0.1194	95.3329	29.1838	92.3114
37	0.6183	0.3054	-0.7677	0.464	-0.2692	0.9993	-0.1001	-0.0943	-0.1189	-0.0397	-0.0575	0.0428	0.1419	0.1119	0.1575	0.1179	0.0394	0.0041	0.0787	0.0082	0.1679	94.6363	14.6787	90.994
38	0.3433	0.1544	-0.1876	0.7666	-1.0039	1.3155	0.0041	0.0938	0.0346	-0.0544	-0.0415	-0.0339	0.0741	0.0512	0.0375	0.1231	0.0278	0.0004	0.0663	-0.0058	0.0934	91.9336	28.4285	71.0098
39	1.4425	-1.1214	-0.0427	2.1415	0.0051	0.3309	-0.0231	0.212	0.1098	-0.308	-0.0411	-0.1283	0.1347	0.154	0.0642	0.1333	0.0262	0.04	0.1301	0.0236	0.0972	98.0639	30.9183	62.7443
40	1.146	0.4642	-0.5963	0.676	-0.5312	0.4845	0.0838	-0.0964	0.1347	0.2056	-0.0017	0.0494	-0.1531	0.0085	-0.0821	0.1113	0.0406	0.056	0.0957	0.0004	0.1522	61.7173	71.8275	64.7412
41	0.7742	-0.2231	-0.6209	0.2273	0.0036	0.6935	-0.0167	-0.0885	0.0036	0.0715	0.1099	0.0584	-0.0695	-0.0121	-0.0932	0.0582	0.001	0.0029	0.1324	0.0254	0.1102	74.6716	56.2173	70.4153
42	0.2631	0.1713	0.2174	0.3374	0.3193	0.3205	0.0072	-0.0035	0.013	0.0209	0.0391	-0.0761	0.0145	0.011	-0.0463	0.0241	0.0078	0.0041	0.1167	0.0471	0.152	77.5539	51.5886	61.1492
43	0.7089	0.1664	0.2496	0.2837	-0.2008	0.4132	-0.0509	-0.0007	0.1216	-0.0399	0.0208	0.095	-0.0055	0.0139	0.0301	0.0698	-0.0035	0.0116	0.1118	0.0279	0.1216	78.0536	69.1127	43.6735
44	0.9028	0.2511	-0.4039	1.4285	-0.5171	0.516	-0.0703	0.0355	-0.0702	-0.0866	-0.0008	0.1363	0.1148	-0.156	0.071	0.0589	-0.0277	0.0121	0.1384	-0.0206	0.1272	71.2281	56.2837	42.1598
45	0.624	0.4833	0.2482	0.4359	0.457	1.3752	-0.1069	-0.004	0.0305	-0.0756	-0.0711	0.0521	0.03	-0.1524	0.1781	0.0929	0.0505	0.0366	0.0946	0.016	0.1036	89.4932	70.43	27.1406
46	1.6803	1.8298	-1.0205	2.2608	-0.8534	1.3278	-0.0055	-0.1167	-0.0085	-0.0019	-0.1647	-0.1013	-0.0394	0.1212	0.1701	0.0477	0.0482	-0.0117	0.0965	0.0719	0.1783	96.6239	73.4691	34.0243
47	0.0495	0.1028	0.1115	0.2704	0.3266	0.4155	0.006	0.0209	-0.0232	0.0163	0.013	-0.0544	0.0398	-0.0214	-0.0191	0.0644	0.0535	0.0511	0.1846	0.0743	0.1952	104.1523	62.3403	42.812
48	0.1845	0.3569	-0.6231	2.2041	-0.9899	2.144	0.0267	-0.0329	-0.0275	-0.0488	-0.1337	-0.1612	-0.0676	0.118	0.107	0.0474	-0.0068	-0.005	0.1065	0.0497	0.1261	103.5978	63.7687	64.3207
49	0.0374	0.1957	0.1742	1.4071	0.851	0.8658	0.0037	0.0093	0.0184	-0.0871	-0.02	0.0942	0.0464	0.0391	0.0163	0.0737	-0.0009	0.0058	0.0851	0.0071	0.1256	93.9435	62.87	57.8057
50	0.0052	0.022	-0.0087	0.4142	0.0428	0.0563	-0.0176	-0.0029	0.0013	0.0177	-0.006	-0.0201	0.0321	0.0675	0.0236	0.1007	-0.0459	-0.0302	0.1798	0.0673	0.1318	101.2032	75.5636	56.9718
51	0.1318	-0.207	0.1244	0.384	-0.4375	1.1172	-0.062	-0.0419	0.0567	0.112	0.0543	-0.0773	-0.0361	0.0445	0.0077	0.0764	-0.0153	-0.037	0.093	0.0281	0.153	102.8402	62.3374	77.5382
52	1.8208	0.895	-0.5099	2.6259	-0.9887	0.3964	-0.0052	-0.0084	-0.1477	0.0346	-0.0834	-0.2412	-0.0024	0.0436	0.0886	0.0258	0.0116	-0.0386	0.0895	0.0302	0.1398	110.5151	56.0831	81.6884

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 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	1 - 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	1 - 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	1 - 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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