PDB-5e2x: The crystal structure of the C-terminal domain of Ebola (Tai Fore...

ID or keywords:

Entry

Database: PDB / ID: 5e2x

Title

The crystal structure of the C-terminal domain of Ebola (Tai Forest) nucleoprotein

Components

NP

Keywords

VIRAL PROTEIN

Function / homology

Function and homology information

viral RNA genome packaging / helical viral capsid / viral nucleocapsid / host cell cytoplasm / ribonucleoprotein complex / RNA binding
Similarity search - Function

Biological species

Tai Forest ebolavirus

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.1 Å

Authors

Baker, L.E. / Handing, K.B. / Derewenda, U. / Utepbergenov, D. / Derewenda, Z.S.

Funding support

United States, 2items

Citation

Journal: Acta Crystallogr D Struct Biol / Year: 2016
Title: Molecular architecture of the nucleoprotein C-terminal domain from the Ebola and Marburg viruses.
Authors: Baker, L.E. / Ellena, J.F. / Handing, K.B. / Derewenda, U. / Utepbergenov, D. / Engel, D.A. / Derewenda, Z.S.

History

Deposition	Oct 1, 2015	Deposition site: RCSB / Processing site: RCSB
Supersession	Oct 21, 2015	ID: 5CII
Revision 1.0	Oct 21, 2015	Provider: repository / Type: Initial release
Revision 1.1	Mar 2, 2016	Group: Database references
Revision 1.2	Jan 17, 2018	Group: Author supporting evidence / Derived calculations / Category: pdbx_audit_support / pdbx_struct_oper_list Item: _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation
Revision 1.3	Jan 1, 2020	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4	Sep 27, 2023	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	5e2x.cif.gz	366.6 KB	Display	PDBx/mmCIF format
PDB format	pdb5e2x.ent.gz	303.1 KB	Display	PDB format
PDBx/mmJSON format	5e2x.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	5e2x_validation.pdf.gz	1.2 MB	Display	wwPDB validaton report
Full document	5e2x_full_validation.pdf.gz	1.2 MB	Display
Data in XML	5e2x_validation.xml.gz	43.6 KB	Display
Data in CIF	5e2x_validation.cif.gz	57.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/e2/5e2x ftp://data.pdbj.org/pub/pdb/validation_reports/e2/5e2x	HTTPS FTP

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Related structure data

Related structure data	5dsdC 4qb0S 4qaz C: citing same article (ref.) S: Starting model for refinement
Similar structure data	5pps-2 5pq3-2 5pr0-2 5pw1-2 5pun-2 5prk-2 4of7-3 5poo-2 5pub-2 5psm-2 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) 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) 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

5dsdC

4qb0S

4qaz

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	#178 - Oct 2014 Ebola Virus Proteins similarity (2)

Deposited unit

A: NP

B: NP

C: NP

D: NP

E: NP

F: NP

G: NP

H: NP

hetero molecules

99 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: NP

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

2

B: NP

hetero molecules

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

3

C: NP

hetero molecules

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

4

D: NP

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

5

E: NP

hetero molecules

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

6

F: NP

hetero molecules

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

7

G: NP

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

8

H: NP

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

9

B: NP

D: NP

hetero molecules

A: NP

C: NP

hetero molecules

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

10

F: NP

G: NP

hetero molecules

E: NP

hetero molecules

H: NP

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

Unit cell

Length a, b, c (Å)	57.847, 60.075, 73.547
Angle α, β, γ (deg.)	69.150, 68.930, 89.930
Int Tables number	1
Space group name H-M	P1

#1: Protein	NP Mass: 12172.624 Da / Num. of mol.: 8 / Fragment: C-terminal domain (UNP residues 641-739) Source method: isolated from a genetically manipulated source Source: (gene. exp.) Tai Forest ebolavirus / Gene: NP / Plasmid: Parallel1-MBPHis / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) RIL / References: UniProt: B8XCN6
#2: Chemical	ChemComp-2PE / NONAETHYLENE GLYCOL Mass: 414.488 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₈H₃₈O₁₀ / Comment: precipitant*YM
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 664 / 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: 2.26 Å³/Da / Density % sol: 45.68 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8.64 Details: Crystallization conditions: 10% PEG 3350, 0.1 M Tris-HCl/HEPES pH 8.64. 1:1 ratio of precipitant solution to protein, with a protein concentration of 5.0 mg/mL. There was a 1.5 M NaCl alternative reservoir

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 19-ID / Wavelength: 0.979 Å

Detector

Type: ADSC QUANTUM 315r / Detector: CCD / Date: Nov 6, 2014

Radiation

Monochromator: Si[111] / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.979 Å / Relative weight: 1

Reflection

Resolution: 2.1→50 Å / Num. obs: 48426 / % possible obs: 96.1 % / Redundancy: 2.1 % / R_merge(I) obs: 0.07 / R_pim(I) all: 0.065 / R_rim(I) all: 0.096 / Χ²: 1.009 / Net I/av σ(I): 12.376 / Net I/σ(I): 7.8 / Num. measured all: 103077

Reflection shell

Diffraction-ID: 1 / Rejects: _

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique all	CC_1/2	R_pim(I) all	R_rim(I) all	Χ²	% possible all
2.1-2.14	2	0.316	2124	0.789	0.299	0.436	0.651	84.6
2.14-2.18	2	0.268	2260	0.85	0.253	0.37	0.606	89.4
2.18-2.22	2	0.251	2296	0.888	0.237	0.346	0.671	91.6
2.22-2.26	2.1	0.22	2386	0.921	0.205	0.301	0.642	93.8
2.26-2.31	2.1	0.208	2429	0.926	0.194	0.285	0.677	96.2
2.31-2.37	2.1	0.192	2416	0.938	0.179	0.263	0.676	97.1
2.37-2.42	2.2	0.19	2476	0.927	0.177	0.261	0.669	97.4
2.42-2.49	2.2	0.174	2445	0.946	0.16	0.237	0.685	97.6
2.49-2.56	2.2	0.143	2476	0.966	0.132	0.195	0.683	97.9
2.56-2.65	2.2	0.126	2468	0.971	0.116	0.172	0.776	97.9
2.65-2.74	2.2	0.104	2480	0.977	0.096	0.142	0.76	97.6
2.74-2.85	2.2	0.098	2456	0.973	0.091	0.134	0.929	97.8
2.85-2.98	2.2	0.076	2468	0.985	0.071	0.104	0.93	97.9
2.98-3.14	2.2	0.067	2466	0.987	0.062	0.091	1.06	98.2
3.14-3.33	2.2	0.059	2481	0.987	0.055	0.081	1.279	98
3.33-3.59	2.2	0.049	2463	0.991	0.046	0.068	1.437	97.7
3.59-3.95	2.1	0.047	2478	0.99	0.044	0.064	1.648	98
3.95-4.52	2.1	0.045	2435	0.99	0.043	0.062	1.876	97
4.52-5.7	2.1	0.042	2470	0.992	0.039	0.057	1.734	98.1
5.7-50	2.2	0.038	2453	0.995	0.035	0.052	1.635	97.1

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0124	refinement
SBC-Collect		data collection
SCALEPACK		data scaling
HKL-3000		data reduction
MOLREP		phasing
Coot		model building
PDB_EXTRACT	3.15	data extraction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4QB0

4qb0

Resolution: 2.1→50 Å / Cor.coef. F_o:F_c: 0.949 / Cor.coef. F_o:F_c free: 0.896 / WR_factor R_free: 0.2484 / WR_factor R_work: 0.1813 / FOM work R set: 0.7658 / SU B: 14.89 / SU ML: 0.202 / SU R Cruickshank DPI: 0.2839 / SU R_free: 0.2268 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.284 / ESU R Free: 0.227 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: U VALUES : WITH TLS ADDED HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2597	2235	4.7 %	RANDOM
R_work	0.1914	-	-	-
obs	0.1946	45777	96.2 %	-

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 max: 164.08 Å² / B_iso mean: 41.867 Å² / B_iso min: 19.47 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-2.73 Å²	0.17 Å²	-0.64 Å²
2-	-	-1.22 Å²	-0.83 Å²
3-	-	-	1.63 Å²

Refinement step

Cycle: final / Resolution: 2.1→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6732	0	73	664	7469
B_iso mean	-	-	47.4	44.77	-
Num. residues	-	-	-	-	794

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.007	0.019	7028
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	6258
X-RAY DIFFRACTION	r_angle_refined_deg	1.092	1.936	9486
X-RAY DIFFRACTION	r_angle_other_deg	0.894	3	14517
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.271	5	788
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.132	24.811	397
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.126	15	1180
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	10.349	15	24
X-RAY DIFFRACTION	r_chiral_restr	0.064	0.2	923
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.021	7835
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	1693
X-RAY DIFFRACTION	r_mcbond_it	4.279	1.947	3170
X-RAY DIFFRACTION	r_mcbond_other	4.275	1.947	3169
X-RAY DIFFRACTION	r_mcangle_it	5.328	2.899	3949

LS refinement shell

Resolution: 2.1→2.154 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.327	161	-
R_work	0.272	3086	-
all	-	3247	-
obs	-	-	87.12 %

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	16.2593	8.5008	-1.9972	4.7928	-1.5725	1.0475	0.0407	0.1985	0.8191	-0.0259	0.118	0.4669	0.0717	-0.0327	-0.1588	0.1933	0.0146	-0.049	0.1806	-0.0059	0.2887	-6.967	62.546	34.431
2	6.6214	-2.1647	0.4695	6.2573	-1.5028	3.112	0.0581	0.183	-0.1476	-0.199	-0.1024	-0.0594	0.1207	0.0234	0.0442	0.0972	0.0005	0.0343	0.0738	0.0104	0.1845	5.398	66.355	39.231
3	6.0162	0.3244	2.2404	5.3724	-2.6356	8.5118	0.0252	0.5443	-0.1276	-0.3372	0.0032	0.0833	0.2313	-0.0671	-0.0284	0.0783	-0.0079	-0.0053	0.064	-0.0215	0.2274	17.088	62.411	35.295
4	5.2605	-0.2122	-3.1359	6.148	2.5999	12.2899	-0.2255	-0.6498	-0.5056	0.3783	0.0102	-0.6578	0.4217	0.3695	0.2154	0.0737	0.0368	-0.0149	0.0944	0.0492	0.2165	25.675	65.051	42.394
5	6.1543	-1.3402	2.3342	11.2608	-3.7067	1.8285	0.0246	0.067	0.2898	0.1258	-0.1281	-0.1524	-0.021	0.0816	0.1035	0.1107	0.0452	0.0546	0.1225	0.0205	0.2437	35.562	66.008	38.765
6	12.4229	-2.1181	2.6295	2.9964	-0.2275	6.63	0.0237	0.3676	0.7042	-0.1359	-0.138	-0.1846	-0.2052	-0.116	0.1142	0.1449	-0.0493	0.0236	0.0589	0.0032	0.2306	27.239	76.962	39.96
7	8.0331	-4.5202	0.0056	4.3611	2.6438	3.8602	-0.2572	0.2776	0.4901	-0.0474	-0.2037	0.0306	-0.2947	-0.0467	0.461	0.1211	-0.0649	-0.0309	0.147	0.0092	0.2531	25.781	75.398	45.252
8	4.1688	0.3075	-2.1925	5.5978	2.4089	6.0609	0.2658	0.2151	0.3033	-0.1469	-0.0179	-0.0999	-0.1994	-0.3891	-0.2478	0.0885	0.0175	0.0072	0.0739	0.0297	0.2278	18.99	71.422	37.918
9	6.7822	5.2622	3.8224	25.7325	-4.4911	22.2894	0.3383	0.953	-0.8573	0.5319	-0.157	-0.2307	-0.7703	0.2121	-0.1814	0.2142	0.0309	0.047	0.2418	-0.1067	0.3446	65.927	54.997	34.836
10	7.3566	5.2873	-1.1649	15.4474	1.4909	0.6536	0.1719	0.1354	0.5891	-0.6124	0.0537	-0.294	-0.1717	-0.0043	-0.2257	0.2988	-0.0357	0.0034	0.2033	0.0829	0.1704	55.907	51.126	34.093
11	3.627	-0.4688	0.554	7.3395	2.5586	2.2801	0.0312	0.0951	0.1122	-0.118	-0.0624	-0.0711	-0.0736	0.0088	0.0311	0.0861	-0.003	0.0177	0.1025	0.0176	0.1769	50.564	49.362	39.545
12	10.9666	2.8206	7.5046	9.3425	5.7537	11.4353	-0.1569	0.8726	0.1602	-0.3678	0.3629	0.0474	-0.4957	0.4183	-0.2061	0.0664	-0.015	0.0662	0.1615	0.0931	0.2046	41.915	55.585	34.893
13	7.2739	0.9874	1.864	2.8765	-0.4504	1.8918	-0.0757	-0.3142	0.1055	0.0785	-0.0316	0.1373	-0.0612	-0.169	0.1072	0.0849	0.021	0.0256	0.0624	0.0168	0.2014	32.744	53.67	40.365
14	5.5142	-3.0213	1.071	13.4998	-3.9312	5.7209	0.0617	-0.3911	-0.1739	0.2974	0.2898	0.5894	-0.1023	-0.4311	-0.3514	0.1232	-0.0367	0.0082	0.1131	-0.0438	0.2539	20.357	48.472	40.313
15	18.0947	-8.9276	-9.8495	4.902	4.7922	10.4064	-0.0189	0.1271	-0.6161	-0.0223	0.0085	0.1236	0.7903	0.2247	0.0104	0.267	-0.0282	-0.056	0.0928	-0.0318	0.3276	31.098	36.775	39.538
16	4.4827	1.8927	0.1904	4.0369	-1.9078	4.3201	0.0478	0.0857	-0.2993	-0.0594	0.1106	0.1137	0.3311	0.0457	-0.1585	0.0936	-0.0012	0.0218	0.028	0.0238	0.2262	34.579	44.277	40.537
17	59.5618	-16.7715	-0.3417	19.3736	1.6387	0.1654	-0.1235	-2.7668	-2.9893	-2.4305	0.1135	0.5846	-0.2644	-0.0394	0.01	0.8689	0.2876	0.0495	0.5307	0.5132	0.581	17.905	28.02	54.945
18	28.1553	-24.6036	19.7293	21.5297	-17.0854	14.8613	-1.5045	-2.0142	0.5737	1.2591	1.6806	-0.5383	-1.5034	-1.5973	-0.1761	0.4084	0.0579	0.2593	0.6508	-0.2264	0.8449	23.568	22.424	55.647
19	11.0527	-2.63	-6.5032	12.082	1.8892	3.8495	-0.2038	0.2951	0.1731	0.7657	0.2626	0.8927	0.0795	-0.2428	-0.0588	0.4588	0.2537	0.0782	0.6787	-0.1706	0.2009	29.387	19.109	57.81
20	7.9191	2.9856	-0.6624	5.1418	-2.5124	5.3748	-0.0289	-0.1779	0.0517	0.1959	-0.0895	0.0996	-0.0841	-0.2773	0.1185	0.0734	-0.0436	0.0098	0.1327	-0.0733	0.2142	34.615	18.5	51.071
21	2.0234	-2.2481	5.2991	4.7281	-4.4454	14.8269	-0.1481	-0.032	-0.0485	0.4539	0.2197	0.1423	-0.1572	0.0464	-0.0716	0.1889	-0.0009	0.0323	0.1465	-0.0027	0.1873	45.709	23.564	58.521
22	6.1238	-0.5771	0.3038	3.5078	-0.4926	2.1319	-0.0228	0.2841	0.0448	0.0009	-0.0071	-0.3159	-0.121	0.1144	0.03	0.132	-0.0367	0.0223	0.0497	0.0006	0.1902	53.054	22.897	49.994
23	8.4846	-2.2461	-1.3175	5.2566	3.7429	5.3373	-0.0956	-0.431	-0.582	0.3627	-0.2964	-0.4158	-0.0473	-0.1913	0.3921	0.2186	-0.0038	-0.0596	0.1025	0.0837	0.3306	60.903	13.644	50.793
24	3.9661	-2.8483	-1.7456	3.1812	-0.0211	2.5751	-0.0788	-0.0213	-0.4113	0.1437	0.0381	0.227	0.1085	0.012	0.0407	0.1558	-0.021	-0.0149	0.0739	-0.0355	0.2776	51.052	13.434	51.067
25	8.7295	-1.5183	2.481	24.9409	-0.727	19.1016	0.4321	0.5617	0.715	0.0581	0.5384	1.4894	-0.1274	-1.2113	-0.9704	0.1536	0.0617	0.0163	0.2296	0.0863	0.3428	96.134	29.273	54.014
26	27.6656	-20.9628	-9.1548	16.4729	7.7543	4.1642	-0.3995	-0.676	1.1401	0.3133	0.751	-0.8463	0.1501	0.5514	-0.3515	0.3144	-0.0199	-0.0502	0.5344	0.2099	0.3848	89.136	34.107	55.076
27	18.716	-1.0213	2.3033	8.7456	-0.2249	6.3766	-0.1802	-1.018	0.0488	0.3371	0.069	-0.3541	-0.0379	0.5693	0.1113	0.1337	-0.0803	0.0024	0.2023	0.0075	0.138	81.088	41.885	56.239
28	6.748	1.5677	3.5493	11.6301	4.3426	8.5071	-0.1361	0.0986	-0.3496	-0.1229	-0.1148	-0.0835	0.0233	-0.1743	0.2508	0.0669	-0.0398	0.0108	0.0901	0.0797	0.2034	79.137	36.859	48.812
29	10.2621	-3.4955	-7.0061	8.0903	3.477	14.165	-0.1676	-0.0476	-0.294	0.2963	-0.0034	-0.0546	0.0751	-0.017	0.1709	0.171	-0.0664	-0.1185	0.098	0.0795	0.2742	70.977	31.934	54.941
30	10.2604	-1.3897	-0.3201	2.0608	0.2591	0.8891	0.0228	0.3728	-0.1633	0.1477	-0.165	-0.0796	-0.0171	-0.0651	0.1423	0.1482	-0.0498	0.0037	0.0409	0.0138	0.1829	56.89	35.596	49.305
31	18.0037	-6.537	9.6203	14.1575	9.8135	20.2465	-1.7092	-1.1025	1.7345	1.7055	0.1062	-0.0465	0.1241	-0.7759	1.603	0.7546	-0.2131	-0.0784	0.4201	-0.0584	0.3461	57.153	49.668	53.444
32	6.211	-0.4234	1.6493	3.8433	-0.4716	2.2372	0.0343	-0.439	0.2401	0.4844	-0.1165	-0.2286	-0.2252	-0.0192	0.0822	0.1218	-0.0399	-0.0163	0.0947	0.0493	0.1745	62.857	43.746	51.159
33	5.5484	4.0155	-1.3804	2.9263	-0.9972	0.3437	0.1893	-0.1621	0.882	0.1446	0.0198	0.7178	-0.0468	0.0508	-0.209	0.674	0.0579	0.131	1.0026	0.4042	0.6348	-12.629	59.564	7.886
34	1.9114	3.9375	-7.3964	16.7009	4.943	76.2139	-0.2116	0.2742	0.0963	-0.4232	-0.0786	0.5383	0.9432	-2.3895	0.2901	0.2011	-0.1065	-0.0419	0.4955	-0.1499	0.3461	-4.695	64.921	7.172
35	12.8865	-0.4404	1.2014	4.5407	3.8655	5.7347	0.1824	0.9097	0.0963	-0.3178	-0.3648	0.2103	0.2725	-0.6297	0.1824	0.1949	-0.0218	0.0155	0.21	0.0465	0.1809	3.047	72.404	6.822
36	6.1719	-1.7345	-2.7666	2.9326	0.6294	4.4268	-0.173	-0.0565	-0.4574	-0.0692	-0.069	0.2914	0.2753	0.0606	0.2419	0.1434	0.0275	-0.052	0.0717	-0.0219	0.2142	9.421	64.099	10.655
37	6.8339	1.0834	-0.7415	3.6645	0.099	0.1094	-0.0246	-0.3275	-0.1479	-0.0723	-0.0246	0.0482	0.0449	0.0484	0.0492	0.1891	0.0366	0.0201	0.0677	-0.0054	0.1659	22.856	64.582	13.464
38	7.3456	-0.4828	-1.6344	12.9199	6.1742	3.2264	0.2811	0.1529	-0.1074	-0.1558	-0.1612	-0.3004	-0.0984	-0.0787	-0.1199	0.2392	0.0303	0.0151	0.1812	0.0276	0.1963	33.91	69.664	13.439
39	41.8098	17.3267	17.9066	7.4317	9.8052	30.6066	-1.1568	2.2757	1.5831	-0.6671	0.862	0.6473	-2.4261	0.2221	0.2947	0.5381	0.0957	-0.1385	0.3065	0.1201	0.7241	25.379	82.001	8.764
40	4.2974	2.4465	-0.4737	1.7278	0.685	3.4789	0.0653	0.0629	0.0364	-0.1965	-0.0136	0.003	-0.3697	-0.1999	-0.0517	0.2974	0.0304	0.0082	0.0917	-0.0203	0.1669	20.699	73.312	12.003
41	0.8242	-5.4179	2.7539	38.2825	-19.4461	9.9137	-0.3094	-0.0073	0.0809	0.8723	0.0501	-0.6639	-0.4344	-0.1443	0.2593	0.6272	-0.0486	-0.0017	0.5578	0.0724	0.3908	66.007	58.083	8.571
42	1.1986	4.3738	2.7771	16.4396	10.5979	6.9104	-0.1081	0.2741	-0.0198	-0.7394	0.6427	-0.5952	-0.6585	0.3748	-0.5345	0.5211	-0.0016	0.2865	0.6032	0.4382	0.6133	56.211	51.298	6.601
43	10.2639	-2.0719	1.6291	4.451	2.3078	6.0694	-0.033	0.8691	-0.3801	-0.2579	-0.3061	0.0358	0.1198	0.4265	0.3392	0.0696	0.0452	0.0615	0.1244	0.0478	0.1946	49.458	44.442	8.939
44	6.0644	-1.1523	2.7243	3.7549	-0.6169	6.7201	-0.092	0.0781	0.5261	-0.1001	-0.0837	-0.4916	-0.2408	0.0192	0.1756	0.1106	0.0134	0.0734	0.0438	0.0403	0.2738	43.364	54.444	9.858
45	5.869	0.4886	0.3517	6.5157	1.1623	0.49	0.0629	-0.4079	0.1688	-0.1359	-0.1187	-0.0388	-0.0681	-0.0703	0.0558	0.1414	0.0409	0.0323	0.0898	-0.007	0.1726	31.246	52.313	13.267
46	7.723	-4.2657	3.8484	13.136	-7.465	4.6231	0.3066	0.1526	-0.0236	0.0899	-0.1497	0.4324	-0.0744	0.0094	-0.1569	0.2704	0.1083	-0.0698	0.2101	-0.0846	0.2098	19.813	47.985	13.689
47	4.7231	-9.3656	-6.4949	65.6541	20.1628	10.114	0.0743	1.0848	-1.1091	-0.8085	-1.1333	-0.5484	-0.2443	-1.1226	1.059	0.539	0.0181	0.1206	1.1313	-0.4421	0.5005	29.189	35.393	7.221
48	2.8936	2.766	-2.7989	4.7279	-1.011	4.2518	-0.0393	0.1627	-0.1068	-0.2377	0.1003	-0.1524	0.0563	-0.1385	-0.061	0.1876	0.0779	-0.0434	0.1289	0.0513	0.2286	32.815	43.17	11.689
49	12.4703	-4.1697	0.6415	28.1227	-5.3978	1.0395	0.6803	-0.121	-0.0872	0.6246	-0.5045	1.0178	-0.1217	0.1032	-0.1757	0.2301	-0.0289	0.1112	0.2319	0.0142	0.395	17.012	25.506	28.272
50	13.8907	-2.1895	-0.2132	14.0201	-0.0987	6.8651	0.069	-0.0969	-0.1396	0.1564	0.1298	0.8198	-0.0142	-0.2932	-0.1989	0.1341	-0.0276	0.0418	0.1447	0.0116	0.1303	26.626	22.899	28.415
51	11.6583	1.2932	-1.2008	8.9107	-4.8247	6.1181	-0.1052	-0.3792	-0.0946	0.625	0.0325	-0.0068	-0.0217	0.1087	0.0728	0.1451	-0.0217	-0.0002	0.1317	0.0158	0.1209	30.873	14.849	28.99
52	5.7174	-2.79	1.2229	9.1833	-1.4614	0.3618	-0.0416	-0.0798	0.2373	-0.0383	0.0133	-0.0601	-0.0144	0.0038	0.0282	0.0931	-0.0383	0.0488	0.1185	0.0074	0.1829	33.817	21.988	21.092
53	6.1778	1.5946	-1.3799	2.9412	-1.9734	5.4697	0.0394	-0.5247	0.2657	0.0621	-0.0135	0.2311	-0.1787	-0.0063	-0.0259	0.085	-0.0104	0.0356	0.0594	-0.0604	0.2643	43.06	25.47	26.52
54	6.1057	-0.3831	-0.7062	3.8095	1.26	1.619	0.0475	0.2952	-0.1576	-0.1818	-0.0024	-0.4118	-0.0608	0.1947	-0.0452	0.084	-0.003	0.0053	0.065	0.0382	0.218	58.637	21.04	22.678
55	13.7849	8.5708	-7.393	9.2775	-3.2355	10.1832	-0.0336	-0.0251	-0.5026	0.1148	0.029	-0.0158	0.6759	-0.3255	0.0046	0.1483	0.0398	-0.03	0.0978	0.0425	0.2048	53.72	8.232	22.679
56	2.2165	-0.3539	0.0702	3.723	1.5085	3.992	0.0692	-0.0766	-0.1061	0.1459	-0.0101	-0.1391	0.3998	-0.0112	-0.0592	0.0889	0.0126	0.0159	0.0879	0.016	0.1844	49.314	14.286	22.482
57	15.4658	-2.0301	-0.8202	19.3876	7.6813	3.1656	0.4102	-0.3357	0.8452	-0.4171	-0.4561	-0.0945	-0.3353	-0.2952	0.046	0.3727	0.0649	-0.0365	0.2749	-0.0568	0.241	94.028	31.956	28.593
58	13.0088	0.2862	3.3146	16.3942	3.3106	1.4871	0.0108	-0.4471	-0.2868	0.9603	0.1349	-0.2724	0.1958	-0.0835	-0.1458	0.1903	-0.0097	-0.01	0.185	0.0259	0.1611	84.11	35.4	29.297
59	7.3223	1.2076	-0.0051	6.7169	0.541	1.9428	0.036	0.1149	-0.1277	0.1322	-0.1091	0.069	0.0359	0.0131	0.073	0.1041	0.0047	0.0118	0.0904	0.02	0.1684	77.934	36.016	22.647
60	4.6982	-0.9786	1.1122	6.8359	3.8168	8.7878	-0.0378	-0.4638	0.0324	0.4588	0.0584	-0.093	0.2767	-0.0236	-0.0206	0.0714	-0.0038	0.0218	0.06	0.0213	0.1989	67.049	32.381	28.077
61	8.6489	-1.8552	-5.8813	2.4399	-1.3322	10.6726	0.0007	0.7218	-0.2245	-0.3146	-0.0053	0.3027	0.3214	-0.6428	0.0046	0.1488	-0.0894	-0.0258	0.1187	0.0182	0.2717	57.683	34.742	21.791
62	4.0855	4.5456	-0.1885	14.1734	-3.203	1.6883	0.1419	-0.0374	0.2734	-0.1315	-0.0729	0.5019	-0.0426	-0.2936	-0.069	0.1012	0.0353	0.0384	0.1433	-0.0346	0.23	49.987	39.505	22.98
63	15.4868	3.9094	-5.4474	23.9397	2.8414	25.0269	-0.5772	0.5644	1.6744	1.2214	-0.05	-0.0021	-2.1139	-0.0428	0.6273	0.4669	-0.0424	-0.1491	0.0842	-0.0169	0.5751	60.562	52.374	23.583
64	4.1356	-0.6624	-1.4369	4.2872	-1.4111	2.5646	0.095	-0.0898	0.2736	0.0365	-0.027	-0.0544	-0.3	0.1649	-0.0681	0.0759	0.0026	0.0267	0.06	0.0135	0.2181	62.759	42.019	22.446

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	639 - 651
2	X-RAY DIFFRACTION	2	A	652 - 676
3	X-RAY DIFFRACTION	3	A	677 - 691
4	X-RAY DIFFRACTION	4	A	692 - 699
5	X-RAY DIFFRACTION	5	A	700 - 709
6	X-RAY DIFFRACTION	6	A	710 - 717
7	X-RAY DIFFRACTION	7	A	718 - 725
8	X-RAY DIFFRACTION	8	A	726 - 739
9	X-RAY DIFFRACTION	9	B	639 - 646
10	X-RAY DIFFRACTION	10	B	647 - 655
11	X-RAY DIFFRACTION	11	B	656 - 672
12	X-RAY DIFFRACTION	12	B	673 - 684
13	X-RAY DIFFRACTION	13	B	685 - 702
14	X-RAY DIFFRACTION	14	B	703 - 711
15	X-RAY DIFFRACTION	15	B	712 - 718
16	X-RAY DIFFRACTION	16	B	719 - 739
17	X-RAY DIFFRACTION	17	C	639 - 644
18	X-RAY DIFFRACTION	18	C	645 - 649
19	X-RAY DIFFRACTION	19	C	650 - 653
20	X-RAY DIFFRACTION	20	C	654 - 675
21	X-RAY DIFFRACTION	21	C	676 - 684
22	X-RAY DIFFRACTION	22	C	685 - 703
23	X-RAY DIFFRACTION	23	C	704 - 718
24	X-RAY DIFFRACTION	24	C	719 - 739
25	X-RAY DIFFRACTION	25	D	639 - 644
26	X-RAY DIFFRACTION	26	D	645 - 650
27	X-RAY DIFFRACTION	27	D	651 - 662
28	X-RAY DIFFRACTION	28	D	663 - 671
29	X-RAY DIFFRACTION	29	D	672 - 685
30	X-RAY DIFFRACTION	30	D	686 - 711
31	X-RAY DIFFRACTION	31	D	712 - 718
32	X-RAY DIFFRACTION	32	D	719 - 739
33	X-RAY DIFFRACTION	33	E	639 - 645
34	X-RAY DIFFRACTION	34	E	646 - 650
35	X-RAY DIFFRACTION	35	E	651 - 662
36	X-RAY DIFFRACTION	36	E	663 - 685
37	X-RAY DIFFRACTION	37	E	686 - 702
38	X-RAY DIFFRACTION	38	E	703 - 714
39	X-RAY DIFFRACTION	39	E	715 - 719
40	X-RAY DIFFRACTION	40	E	720 - 739
41	X-RAY DIFFRACTION	41	F	639 - 645
42	X-RAY DIFFRACTION	42	F	646 - 653
43	X-RAY DIFFRACTION	43	F	654 - 667
44	X-RAY DIFFRACTION	44	F	668 - 685
45	X-RAY DIFFRACTION	45	F	686 - 702
46	X-RAY DIFFRACTION	46	F	703 - 713
47	X-RAY DIFFRACTION	47	F	714 - 718
48	X-RAY DIFFRACTION	48	F	719 - 739
49	X-RAY DIFFRACTION	49	G	639 - 645
50	X-RAY DIFFRACTION	50	G	646 - 652
51	X-RAY DIFFRACTION	51	G	653 - 661
52	X-RAY DIFFRACTION	52	G	662 - 672
53	X-RAY DIFFRACTION	53	G	673 - 690
54	X-RAY DIFFRACTION	54	G	691 - 710
55	X-RAY DIFFRACTION	55	G	711 - 718
56	X-RAY DIFFRACTION	56	G	719 - 739
57	X-RAY DIFFRACTION	57	H	639 - 646
58	X-RAY DIFFRACTION	58	H	647 - 654
59	X-RAY DIFFRACTION	59	H	655 - 676
60	X-RAY DIFFRACTION	60	H	677 - 690
61	X-RAY DIFFRACTION	61	H	691 - 701
62	X-RAY DIFFRACTION	62	H	702 - 714
63	X-RAY DIFFRACTION	63	H	715 - 719
64	X-RAY DIFFRACTION	64	H	720 - 739

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