PDB-4qti: Crystal structure of human uPAR in complex with anti-uPAR Fab 8B12

ID or keywords:

Entry

Database: PDB / ID: 4qti

Title

Crystal structure of human uPAR in complex with anti-uPAR Fab 8B12

Components

Urokinase plasminogen activator surface receptor
anti-uPAR antibody, heavy chain
anti-uPAR antibody, light chain

Keywords

IMMUNE SYSTEM / allosteric regulation / cell surface

Function / homology

Function and homology information

urokinase plasminogen activator receptor activity / Attachment of GPI anchor to uPAR / positive regulation of homotypic cell-cell adhesion / negative regulation of cysteine-type endopeptidase activity involved in apoptotic signaling pathway / urokinase plasminogen activator signaling pathway / regulation of plasminogen activation / regulation of fibrinolysis / protein complex involved in cell-matrix adhesion / regulation of proteolysis / serine-type endopeptidase complex ...
Similarity search - Function

Biological species

Homo sapiens (human)

Mus musculus (house mouse)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3 Å

Authors

Zhao, B. / Yuan, C. / Luo, Z. / Huang, M.

Citation

Journal: J.Mol.Biol. / Year: 2015
Title: Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.
Authors: Zhao, B. / Gandhi, S. / Yuan, C. / Luo, Z. / Li, R. / Gardsvoll, H. / de Lorenzi, V. / Sidenius, N. / Huang, M. / Ploug, M.

History

Deposition	Jul 8, 2014	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Feb 25, 2015	Provider: repository / Type: Initial release
Revision 1.1	Aug 24, 2022	Group: Database references / Category: citation / database_2 Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2	Nov 8, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	4qti_validation.pdf.gz	445.1 KB	Display	wwPDB validaton report
Full document	4qti_full_validation.pdf.gz	454.9 KB	Display
Data in XML	4qti_validation.xml.gz	24.8 KB	Display
Data in CIF	4qti_validation.cif.gz	33.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/qt/4qti ftp://data.pdbj.org/pub/pdb/validation_reports/qt/4qti	HTTPS FTP

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Related structure data

Related structure data	4qthC 2fd6S C: citing same article (ref.) S: Starting model for refinement
Similar structure data	3t2n-1 1q4k-d 4r4n-1 4r4n-4 4rfn-1 4r4n-2 3t2n-2 4ydj-1 5xnx-1 3gbt-2 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	#256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #21 - Sep 2001 Antibodies similarity (1) #54 - Jun 2004 Acetylcholinesterase similarity (1)

Deposited unit

H: anti-uPAR antibody, heavy chain

L: anti-uPAR antibody, light chain

U: Urokinase plasminogen activator surface receptor

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

1

Idetical with deposited unit
defined by author

Unit cell

Length a, b, c (Å)	45.554, 95.403, 189.533
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	18
Space group name H-M	P22₁2₁

#1: Antibody	anti-uPAR antibody, heavy chain Mass: 24032.842 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse)
#2: Antibody	anti-uPAR antibody, light chain Mass: 23642.959 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse)
#3: Protein	Urokinase plasminogen activator surface receptor / U-PAR / uPAR / Monocyte activation antigen Mo3 Mass: 31501.342 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: PLAUR, MO3, UPAR / Production host: Drosophila melanogaster (fruit fly) / References: UniProt: Q03405

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.6 Å³/Da / Density % sol: 52.71 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 8 Details: 48% MPD, 100mM Tris, 100mM NaCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.979 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Dec 16, 2012
Radiation	Monochromator: double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 3→94.77 Å / Num. obs: 16359 / % possible obs: 94.4 % / Redundancy: 4.9 %
Reflection shell	Resolution: 3→3.11 Å / Redundancy: 4.8 % / % possible all: 95.8

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Processing

Software

Name	Version	Classification
HKL-2000		data collection
MOLREP		phasing
REFMAC	5.8.0049	refinement
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2FD6

2fd6

Resolution: 3→94.77 Å / Cor.coef. F_o:F_c: 0.925 / Cor.coef. F_o:F_c free: 0.908 / SU B: 66.07 / SU ML: 0.518 / Cross valid method: THROUGHOUT / ESU R Free: 0.539 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.29625	823	5 %	RANDOM
R_work	0.24961	-	-	-
obs	0.25196	15488	94.26 %	-

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: 118.623 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.03 Å²	-0 Å²	0 Å²
2-	-	-3.93 Å²	-0 Å²
3-	-	-	3.9 Å²

Refinement step

Cycle: LAST / Resolution: 3→94.77 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5290	0	0	0	5290

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.005	0.019	5415
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	4879
X-RAY DIFFRACTION	r_angle_refined_deg	1.027	1.948	7353
X-RAY DIFFRACTION	r_angle_other_deg	0.701	3	11304
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.458	5	684
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.436	24.292	233
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	17.889	15	899
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	16.239	15	31
X-RAY DIFFRACTION	r_chiral_restr	0.059	0.2	819
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.021	6153
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	1220
X-RAY DIFFRACTION	r_mcbond_it	1.885	7.348	2754
X-RAY DIFFRACTION	r_mcbond_other	1.884	7.348	2753
X-RAY DIFFRACTION	r_mcangle_it	3.252	11.016	3432
X-RAY DIFFRACTION	r_mcangle_other	3.252	11.016	3433
X-RAY DIFFRACTION	r_scbond_it	1.57	7.505	2661
X-RAY DIFFRACTION	r_scbond_other	1.567	7.505	2659
X-RAY DIFFRACTION	r_scangle_other	2.714	11.19	3921
X-RAY DIFFRACTION	r_long_range_B_refined	5.484	57.218	5738
X-RAY DIFFRACTION	r_long_range_B_other	5.484	57.221	5739

LS refinement shell

Resolution: 3→3.078 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.378	58	-
R_work	0.366	1111	-
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	5.366	-0.5989	6.6135	0.0932	-0.7495	8.2772	-0.4684	1.3364	0.7336	0.0394	-0.2118	-0.0448	-0.4491	1.7423	0.6802	0.5045	-0.0952	0.0046	0.5292	-0.086	0.7518	-9.2427	21.1868	-38.0014
2	21.9364	7.7999	9.9575	2.8104	3.5903	4.6543	-0.1798	0.1914	-0.2007	-0.1794	0.1132	0.0152	-0.3214	0.0254	0.0666	0.5934	-0.0154	-0.1733	0.2825	-0.0019	0.4009	-30.5461	24.2251	-47.0688
3	26.7339	-4.1406	-1.0035	0.7311	0.4308	0.9035	0.3016	0.8114	0.6153	-0.0332	-0.1328	-0.1227	0.106	-0.0598	-0.1687	0.5522	-0.075	-0.0256	0.0393	0.004	0.3262	-20.7928	17.9772	-46.2186
4	2.4572	-2.5898	-1.8063	8.8343	2.4656	1.5408	-0.0032	-0.8028	-0.4036	-1.1736	-0.0271	0.7976	-0.0842	0.4914	0.0303	0.5146	0.037	-0.1196	0.4183	0.1068	0.534	-16.4342	12.8607	-37.1836
5	5.6641	-3.6314	-1.3223	15.8855	14.0182	13.1671	0.6877	0.2098	-0.584	-1.461	-1.0515	0.7901	-1.0517	-1.0278	0.3638	0.4353	0.0497	-0.2712	0.2915	0.2774	0.5985	-30.0368	17.553	-31.8605
6	14.3994	-2.6516	7.577	2.3183	2.3804	11.8534	0.0418	-0.1682	-0.3387	-0.0618	0.005	0.1812	0.0354	-0.0887	-0.0468	0.4702	-0.0026	-0.1518	0.1111	-0.018	0.3102	-18.0773	4.5888	-40.8575
7	7.4507	5.7789	8.5901	8.8978	5.1583	10.431	0.2538	-0.5577	0.0761	-0.1907	-0.0078	1.1856	0.4866	-0.8197	-0.246	0.5218	-0.0995	-0.0689	0.4237	0.0923	0.7385	-33.2936	8.2667	-37.7809
8	24.8956	-4.1515	-12.0596	6.6886	0.4586	6.2535	0.2877	-0.466	0.8022	-0.1905	0.2207	0.3906	-0.1476	0.178	-0.5084	0.4265	-0.0825	-0.1279	0.0957	0.0099	0.11	-18.9926	11.7816	-45.9045
9	7.5313	-4.1711	3.1682	5.8671	-1.4927	3.5683	-0.3781	0.0028	0.024	0.1029	0.2832	0.3244	-0.2163	0.0512	0.0949	0.3345	-0.102	0.0451	0.0561	0.0234	0.0751	-22.9201	14.9135	-36.3456
10	5.9307	-5.2346	1.9223	5.7531	-1.9928	1.8837	0.2526	-0.4018	-0.4776	-0.7673	0.174	0.5768	0.3106	-0.5129	-0.4265	0.4895	-0.0562	-0.0382	0.2483	0.0592	0.1276	-26.3296	24.6614	-39.2673
11	7.0453	2.4633	-3.8472	14.9923	24.6488	49.9601	-0.1703	-0.2604	-0.1002	-0.5317	-0.5667	0.403	-0.7782	-0.752	0.737	0.5685	0.0725	-0.0877	0.2584	0.0721	0.3825	-42.9927	51.5949	-35.9876
12	17.9255	-9.9711	-11.1301	11.015	1.6548	10.676	0.0945	-1.4453	0.9533	0.3782	0.5511	-0.4827	-0.4197	1.0809	-0.6456	0.4976	-0.0026	0.0331	0.4618	0.0061	0.3903	-37.8374	58.695	-19.1465
13	15.9925	-3.755	6.6158	3.4535	-5.5603	8.9888	0.9307	-0.1299	-0.2796	-0.3351	-0.1057	0.5128	0.6069	0.0987	-0.825	0.4145	-0.1981	0.0679	0.4337	0.1201	0.3782	-40.7408	47.6681	-35.0566
14	5.192	-5.249	-1.1183	9.4407	-2.3267	3.1441	-0.0635	0.4612	-1.0014	0.3088	-0.6702	0.3992	-0.0957	0.059	0.7337	0.6663	-0.1303	-0.0282	0.1496	-0.0034	0.3296	-33.7865	39.3313	-41.227
15	3.0633	0.8765	-2.3612	12.9082	-8.0598	8.8779	-0.0427	-0.1504	-0.1618	-0.0661	0.302	0.1021	-0.1887	0.7898	-0.2593	0.3448	-0.0219	0.0156	0.3275	-0.0232	0.2189	-30.1475	50.1469	-30.6948
16	10.7246	0.617	8.2658	0.631	-0.4099	7.7031	-0.3576	0.0031	0.0625	0.1257	0.5757	0.21	-0.4181	-0.8908	-0.2181	0.6288	0.0096	-0.0057	0.653	0.0557	0.4431	-41.0989	36.0339	-37.9904
17	1.8051	0.5895	0.5319	19.666	10.5944	5.7462	0.366	-0.799	0.4322	-0.1587	-0.4696	0.0027	-0.0639	-0.3255	0.1036	0.5807	-0.0419	0.1284	0.444	-0.0645	0.3303	-34.5955	55.9014	-25.773
18	1.231	-1.1061	1.6416	1.029	-1.5024	2.2146	-0.2033	0.0573	0.2417	0.2147	-0.0145	-0.0871	-0.3335	0.0708	0.2179	0.5671	-0.0318	0.0391	0.3099	0.0682	0.5595	-35.5481	62.2746	-31.631
19	8.0504	6.8694	4.2211	13.5024	0.3172	3.6521	-0.1035	0.2823	0.1366	-0.4018	-0.0881	-0.0572	-0.0256	0.3357	0.1916	0.6003	-0.0111	-0.0917	0.3077	0.1169	0.1928	-31.3195	45.6443	-45.1814
20	8.7345	-6.9012	-4.1346	7.0856	4.7315	3.306	0.5315	0.0631	0.5994	-0.1005	-0.5155	-0.0821	-0.0123	-0.5543	-0.0159	0.5529	0.0511	-0.0078	0.4587	0.1504	0.472	-41.4269	57.9211	-37.0243
21	0.4472	4.0734	0.7397	47.0538	10.3396	2.5633	0.1309	0.1104	-0.0159	0.1238	-0.836	1.749	-0.0726	-0.5285	0.7051	0.4175	0.1274	-0.0667	0.659	-0.1829	0.6378	-30.0215	13.2478	-18.4898
22	16.2782	-7.5048	1.9704	5.4548	2.8834	7.4757	-0.4288	-0.7679	0.1797	0.4133	0.2571	0.0185	0.3461	-0.1969	0.1716	0.5975	0.1108	0.1489	0.3968	-0.0047	0.1774	-22.762	32.1357	-9.2815
23	15.3402	16.0344	8.0158	25.4338	9.6914	12.0818	0.3609	0.3239	-0.4837	0.7097	0.4316	-0.5036	0.4426	0.4621	-0.7925	0.2736	0.1461	0.1526	0.29	0.1193	0.2035	-23.7354	18.9808	-10.3061
24	11.9597	-2.6401	5.3592	0.6012	-1.1635	2.4975	0.0548	0.0834	-0.5406	0.0238	0.0551	0.1671	0.1449	0.0568	-0.1099	0.3673	0.0281	0.1969	0.3484	0.1186	0.2374	-22.4753	8.0027	-18.316
25	5.2296	-6.5173	1.6233	8.5569	-3.3577	4.6396	-0.0294	-0.2683	0.3257	0.1256	0.1652	-0.334	-0.1946	0.4079	-0.1358	0.2404	-0.0445	0.0155	0.1876	0.0304	0.0853	-16.595	20.9896	-23.3457
26	7.0764	1.4757	-3.9915	2.5745	-3.5704	5.566	-0.8004	0.099	-0.4465	-0.0986	0.3194	-0.2855	0.3587	-0.3743	0.481	0.3765	0.0006	0.178	0.4067	0.0723	0.1883	-12.9583	18.3896	-14.2128
27	2.1737	-2.7398	0.5443	3.7147	-1.3188	2.4713	-0.2867	-0.4392	-0.1021	0.6333	0.451	0.2219	-0.2635	0.2981	-0.1642	0.546	0.0342	0.1565	0.3713	0.1416	0.1479	-20.3393	19.7338	-17.878
28	8.5191	-6.5955	-7.6872	5.4006	6.2545	8.164	0.4898	0.0729	-0.4795	-0.7261	-0.6789	0.4544	-1.3979	-0.7064	0.1891	0.756	0.5585	-0.0092	1.1296	-0.0552	0.2378	-26.8643	28.0433	-16.8377
29	3.8485	-2.3639	-0.8162	3.179	0.4218	0.1858	-0.2021	-0.0664	-0.0927	-0.0841	0.2291	0.9633	0.0642	-0.0648	-0.027	0.6071	0.0291	0.0597	0.6055	0.1491	0.5259	-44.4051	49.2658	-25.9905
30	1.4503	1.6381	1.0479	2.1495	1.4298	0.9747	0.1885	0.1415	-0.453	-0.0598	0.0471	-0.3175	-0.1286	-0.0533	-0.2355	0.5093	0.1104	-0.032	0.5729	0.1374	0.578	-48.1143	46.8799	-33.6913
31	6.0109	3.9956	-1.3684	3.2887	-4.1459	18.8848	0.4974	0.1161	0.0143	0.4608	0.2542	0.2679	0.0358	-0.5544	-0.7515	0.531	0.0697	0.2007	0.3032	0.1776	0.4456	-36.7457	40.6442	-16.1936
32	21.853	-13.7003	14.7566	9.0434	-9.3534	9.9966	-0.6917	-0.4223	1.165	0.2426	-0.1327	-0.9838	-0.4535	-0.248	0.8244	0.7168	0.0851	0.1531	0.7982	0.2094	0.7587	-53.3514	41.4115	-20.9977
33	9.2744	5.7307	-0.9506	6.4677	-1.1591	0.2202	-0.3417	0.358	-0.5071	-0.0929	0.2066	-0.2982	-0.0205	-0.0424	0.1351	0.6131	-0.0066	-0.0698	0.6685	-0.0386	0.7514	-55.1133	36.486	-26.4885
34	1.4351	-3.4709	-3.9618	9.1893	6.0765	26.5065	0.0281	0.257	-0.5637	-0.1976	-0.3537	1.6379	0.7085	-1.9084	0.3256	0.5269	-0.0555	0.0178	0.1812	-0.001	0.5158	-40.5147	36.9425	-27.1758
35	23.0347	-13.4427	0.9696	7.8737	-0.626	0.7261	-0.2476	-0.5007	0.2235	0.2074	0.3814	-0.0953	-0.0401	-0.0449	-0.1338	0.4774	0.0869	0.0698	0.4057	0.0401	0.2567	-27.8583	41.5323	-19.0768
36	4.7503	3.6427	4.9386	2.797	3.7824	5.17	0.204	-0.2808	-0.0644	0.1142	-0.1988	-0.0338	0.2488	-0.4219	-0.0052	0.623	0.0197	-0.0061	0.6863	0.0445	0.6582	-53.2858	42.9348	-33.4866
37	0.5221	0.2034	-0.0415	5.9667	-3.4121	1.9635	-0.1246	0.4574	-0.1321	-0.2846	0.1277	0.0245	0.152	0.0006	-0.0031	0.5846	0.0195	-0.0147	0.9449	-0.1125	0.7814	-60.9504	47.8606	-29.9906
38	0.0247	0.0678	0.1055	1.0747	1.6327	2.5209	0.1286	-0.0139	0.0203	0.2078	-0.5057	0.2416	0.3333	-0.8695	0.377	0.6881	0.0099	0.0985	0.7358	0.1965	0.5475	-47.0632	42.9952	-15.5362
39	0.175	-0.3468	-0.3919	1.0502	0.9869	0.9997	-0.1971	0.0841	-0.0686	0.0606	0.044	0.1184	0.2493	-0.066	0.1531	0.6028	-0.0957	0.111	0.6472	0.1269	0.5379	-45.5513	45.3029	-11.1735
40	3.9468	3.88	-0.0823	3.8185	-0.0777	0.006	-0.0259	0.0413	0.2276	-0.0079	0.0073	0.2584	0.047	-0.0096	0.0187	0.8117	0.0139	-0.1105	0.739	-0.0255	0.6173	-57.0396	53.82	-27.3663
41	10.3791	1.7874	-0.6561	20.1258	-15.9318	14.1569	-0.6589	0.2021	-0.8572	0.3895	0.4326	-0.1716	-0.3426	-0.7266	0.2263	0.4767	-0.0867	0.0327	0.5289	-0.0144	0.6252	-25.3806	-32.231	-16.8171
42	0.9474	0.3847	0.1544	2.6757	-0.2854	0.0749	0.0964	-0.1748	-0.1783	0.0588	-0.108	-0.2074	0.0308	-0.0417	0.0116	0.6646	-0.0153	0.0537	0.7413	0.0266	0.5956	-20.1333	-33.2178	-18.3882
43	12.7898	6.669	-2.5951	7.9806	-2.2008	2.4259	0.2277	-0.1552	0.5707	-0.0658	-0.1871	0.6806	0.1964	0.0811	-0.0406	0.4575	0.0429	0.0021	0.5841	-0.0571	0.5719	-15.3	-20.2092	-22.9724
44	0.7202	-1.7822	-1.6691	4.4218	4.1329	3.8714	-0.1668	-0.1184	0.0613	0.4704	0.3036	-0.2229	0.4074	0.3175	-0.1367	0.8047	-0.0189	0.0046	0.7671	0.0758	0.8243	-7.9143	-10.9325	-36.093
45	1.5646	0.1844	-3.2775	7.1988	-4.1877	15.355	-0.2922	-0.1794	-0.4265	-0.1241	-0.4519	-0.3008	0.3227	0.3346	0.7442	0.4093	0.019	-0.0115	0.562	-0.0425	0.5863	-15.8101	-24.0008	-23.5478
46	1.6656	1.8385	-0.6934	3.6278	0.1883	0.9005	0.0863	-0.9199	-0.6973	0.3121	-0.5993	-0.5546	0.2517	0.6028	0.5129	0.7266	0.0426	0.153	0.8064	0.1462	0.8435	-16.2878	-20.0802	-9.6562
47	10.9306	2.5834	0.4389	3.3467	3.9971	5.6919	-0.5826	0.9167	-1.4715	-0.008	-0.0526	-0.0233	0.4083	-0.1974	0.6352	0.929	0.2862	0.1959	0.4288	0.1375	0.7042	-8.4791	-11.7309	-24.1859
48	6.8335	3.5269	3.9475	9.446	-5.7111	10.154	0.1545	0.3624	-0.9477	-0.1004	-0.0194	-0.8868	0.2609	0.415	-0.135	0.503	-0.0611	0.0686	0.6115	-0.1369	0.6773	-27.3041	-25.2531	-16.4889
49	0.6952	-0.3071	-1.3858	1.9073	-1.468	5.2722	0.1427	-0.0219	-0.1543	-0.1998	0.0058	0.3263	-0.0939	-0.0113	-0.1485	0.3866	0.134	-0.1092	0.2224	0.1145	0.4274	-13.1229	-1.4364	-23.3098
50	0.4317	3.4192	0.6389	27.7255	5.1496	0.9586	-0.1139	0.0881	-0.1522	-0.753	0.2824	-0.873	-0.1387	0.0875	-0.1685	0.6559	0.1208	0.0242	0.6366	0.0048	0.5677	4.828	-10.8098	-23.4034
51	1.69	0.3491	0.3662	8.3602	-2.113	4.9018	0.1681	-0.2062	-0.6479	-0.0318	0.0011	-0.5929	0.2627	0.4884	-0.1691	0.5153	0.1058	-0.0043	0.3852	0.1386	0.3171	-6.2539	-3.6737	-20.5461
52	3.731	0.9958	5.0338	4.2394	-2.0571	9.738	0.3878	0.3336	-0.3662	-0.062	-0.0326	-0.2268	0.5796	0.4496	-0.3552	0.6339	0.0325	0.0064	0.6127	0.055	0.4539	-1.4939	-12.917	-9.741
53	5.5281	-5.6172	0.428	5.7876	-0.2646	0.4311	0.0501	0.2063	0.2892	0.006	-0.043	-0.3678	0.1592	0.4895	-0.0072	0.5441	0.1659	0.0178	0.6908	0.2478	0.6069	-2.9686	-2.8986	-11.4997
54	2.517	4.5706	-1.3935	10.9948	-4.7647	2.8577	-0.1968	0.2547	0.3102	-0.3787	-0.0921	-0.2093	-0.1614	0.2115	0.2889	0.646	0.188	0.0016	0.5255	0.0948	0.5922	7.0937	-11.8813	1.0597
55	5.1672	-0.6765	1.9686	1.1643	-1.9336	7.1232	0.3087	0.0499	-0.5657	-0.1495	-0.7178	-0.3393	0.672	-0.0204	0.409	0.5873	0.0018	-0.0347	0.7953	0.2113	0.4221	4.0425	-21.3318	4.3036
56	0.1046	0.8895	-0.8434	7.5974	-7.1928	6.822	-0.0945	-0.0056	-0.0046	-0.9413	0.0233	-0.0522	0.8118	-0.0692	0.0712	0.8297	-0.0329	0.0265	0.8689	-0.0201	0.8371	-5.0763	-33.4702	-8.2076
57	1.6173	1.9476	0.2528	9.6966	-0.0575	3.8628	0.1541	0.168	-0.0687	-0.1952	-0.3	0.5384	-0.0317	-0.2512	0.1459	0.3537	0.0396	-0.0826	0.4025	0.0043	0.389	-2.8595	-19.3571	1.6767
58	7.7978	-3.1802	-7.9461	4.2906	7.7107	32.1607	-0.3916	-0.428	0.7679	1.0546	0.3739	-0.8042	0.413	0.7441	0.0177	0.8653	0.1199	-0.2025	0.8724	-0.07	0.8526	-8.9631	-19.2998	-3.6516
59	2.7071	2.3812	0.3725	10.7652	8.6053	8.2487	0.1676	0.6167	-0.4343	0.3552	0.0374	-0.3128	0.5611	-0.4863	-0.205	0.5899	0.0755	-0.0626	0.5339	0.0415	0.4905	-7.3249	-22.569	1.2487
60	2.5947	5.4291	0.2842	19.8039	-1.5625	0.5856	0.3202	-0.2481	0.2931	1.3262	-0.4768	0.2104	-0.1298	-0.0373	0.1566	0.4316	0.0719	-0.1701	0.4104	0.0509	0.3438	1.9315	-20.7552	13.8267

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	H	1 - 5
2	X-RAY DIFFRACTION	2	H	6 - 16
3	X-RAY DIFFRACTION	3	H	17 - 24
4	X-RAY DIFFRACTION	4	H	25 - 39
5	X-RAY DIFFRACTION	5	H	40 - 49
6	X-RAY DIFFRACTION	6	H	50 - 59
7	X-RAY DIFFRACTION	7	H	60 - 67
8	X-RAY DIFFRACTION	8	H	68 - 81
9	X-RAY DIFFRACTION	9	H	82 - 106
10	X-RAY DIFFRACTION	10	H	107 - 128
11	X-RAY DIFFRACTION	11	H	129 - 135
12	X-RAY DIFFRACTION	12	H	141 - 146
13	X-RAY DIFFRACTION	13	H	147 - 152
14	X-RAY DIFFRACTION	14	H	153 - 161
15	X-RAY DIFFRACTION	15	H	162 - 176
16	X-RAY DIFFRACTION	16	H	177 - 186
17	X-RAY DIFFRACTION	17	H	187 - 195
18	X-RAY DIFFRACTION	18	H	196 - 204
19	X-RAY DIFFRACTION	19	H	205 - 214
20	X-RAY DIFFRACTION	20	H	215 - 223
21	X-RAY DIFFRACTION	21	L	1 - 10
22	X-RAY DIFFRACTION	22	L	11 - 17
23	X-RAY DIFFRACTION	23	L	18 - 24
24	X-RAY DIFFRACTION	24	L	25 - 35
25	X-RAY DIFFRACTION	25	L	36 - 53
26	X-RAY DIFFRACTION	26	L	54 - 69
27	X-RAY DIFFRACTION	27	L	70 - 96
28	X-RAY DIFFRACTION	28	L	97 - 108
29	X-RAY DIFFRACTION	29	L	109 - 125
30	X-RAY DIFFRACTION	30	L	126 - 135
31	X-RAY DIFFRACTION	31	L	136 - 144
32	X-RAY DIFFRACTION	32	L	145 - 152
33	X-RAY DIFFRACTION	33	L	153 - 159
34	X-RAY DIFFRACTION	34	L	160 - 164
35	X-RAY DIFFRACTION	35	L	165 - 174
36	X-RAY DIFFRACTION	36	L	175 - 186
37	X-RAY DIFFRACTION	37	L	187 - 192
38	X-RAY DIFFRACTION	38	L	193 - 198
39	X-RAY DIFFRACTION	39	L	199 - 207
40	X-RAY DIFFRACTION	40	L	208 - 212
41	X-RAY DIFFRACTION	41	U	1 - 5
42	X-RAY DIFFRACTION	42	U	6 - 23
43	X-RAY DIFFRACTION	43	U	24 - 31
44	X-RAY DIFFRACTION	44	U	32 - 36
45	X-RAY DIFFRACTION	45	U	37 - 47
46	X-RAY DIFFRACTION	46	U	48 - 53
47	X-RAY DIFFRACTION	47	U	54 - 69
48	X-RAY DIFFRACTION	48	U	70 - 79
49	X-RAY DIFFRACTION	49	U	80 - 99
50	X-RAY DIFFRACTION	50	U	100 - 105
51	X-RAY DIFFRACTION	51	U	106 - 124
52	X-RAY DIFFRACTION	52	U	125 - 164
53	X-RAY DIFFRACTION	53	U	165 - 181
54	X-RAY DIFFRACTION	54	U	182 - 199
55	X-RAY DIFFRACTION	55	U	200 - 228
56	X-RAY DIFFRACTION	56	U	229 - 234
57	X-RAY DIFFRACTION	57	U	235 - 248
58	X-RAY DIFFRACTION	58	U	249 - 255
59	X-RAY DIFFRACTION	59	U	256 - 267
60	X-RAY DIFFRACTION	60	U	268 - 277

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