PDB-2x4h: Crystal Structure of the hypothetical protein SSo2273 from Sulfol...

ID or keywords:

Entry

Database: PDB / ID: 2x4h

Title

Crystal Structure of the hypothetical protein SSo2273 from Sulfolobus solfataricus

Components

HYPOTHETICAL PROTEIN SSO2273

Keywords

TRANSCRIPTION

Function / homology

Function and homology information

transition metal ion binding / protein dimerization activity / DNA-binding transcription factor activity / DNA binding
Similarity search - Function

Biological species

SULFOLOBUS SOLFATARICUS (archaea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.3 Å

Authors

Oke, M. / Carter, L.G. / Johnson, K.A. / Liu, H. / Mcmahon, S.A. / White, M.F. / Naismith, J.H.

Citation

Journal: J.Struct.Funct.Genomics / Year: 2010
Title: The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
Authors: Oke, M. / Carter, L.G. / Johnson, K.A. / Liu, H. / Mcmahon, S.A. / Yan, X. / Kerou, M. / Weikart, N.D. / Kadi, N. / Sheikh, M.A. / Schmelz, S. / Dorward, M. / Zawadzki, M. / Cozens, C. / ...

History

Deposition	Jan 31, 2010	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jul 21, 2010	Provider: repository / Type: Initial release
Revision 1.1	May 7, 2011	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Version format compliance
Revision 1.3	May 8, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_struct_conn_angle / struct_conn / struct_ncs_dom_lim / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2x4h.cif.gz	226.8 KB	Display	PDBx/mmCIF format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/x4/2x4h ftp://data.pdbj.org/pub/pdb/validation_reports/x4/2x4h	HTTPS FTP

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Related structure data

Related structure data	2ivyC 2jg5C 2jg6C 2vw8C 2vxzC 2wj9C 2x0oC 2x3dC 2x3eC 2x3fC 2x3gC 2x3lC 2x3mC 2x3nC 2x3oC 2x48C 2x4gC 2x4iC 2x4jC 2x4kC 2x4lC 2x5cC 2x5dC 2x5fC 2x5gC 2x5hC 2x5pC 2x5qC 2x5rC 2x5tC 2x7bC 2x7iC 2xu2C C: citing same article (ref.)
Similar structure data	4usn-3 6dkm-d 4usn-7 4usn-6 4usn-2 4q2y-2 1hf2-d 3fhk-d 1iod-2 4usn-4 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

Deposited unit

A: HYPOTHETICAL PROTEIN SSO2273

B: HYPOTHETICAL PROTEIN SSO2273

C: HYPOTHETICAL PROTEIN SSO2273

D: HYPOTHETICAL PROTEIN SSO2273

hetero molecules

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

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	72.100, 72.100, 260.070
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	96
Space group name H-M	P4₃2₁2

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
4	1	D

NCS domain segments:

Ens-ID: 1 / Refine code: 4

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	LEU	LEU	ASP	ASP	A	A	10 - 26	11 - 27
2	1	LEU	LEU	ASP	ASP	B	B	10 - 26	11 - 27
3	1	LEU	LEU	ASP	ASP	C	C	10 - 26	11 - 27
4	1	LEU	LEU	ASP	ASP	D	D	10 - 26	11 - 27
1	2	ILE	ILE	LEU	LEU	A	A	33 - 40	34 - 41
2	2	ILE	ILE	LEU	LEU	B	B	33 - 40	34 - 41
3	2	ILE	ILE	LEU	LEU	C	C	33 - 40	34 - 41
4	2	ILE	ILE	LEU	LEU	D	D	33 - 40	34 - 41
1	3	PRO	PRO	LYS	LYS	A	A	44 - 57	45 - 58
2	3	PRO	PRO	LYS	LYS	B	B	44 - 57	45 - 58
3	3	PRO	PRO	LYS	LYS	C	C	44 - 57	45 - 58
4	3	PRO	PRO	LYS	LYS	D	D	44 - 57	45 - 58
1	4	VAL	VAL	LYS	LYS	A	A	60 - 62	61 - 63
2	4	VAL	VAL	LYS	LYS	B	B	60 - 62	61 - 63
3	4	VAL	VAL	LYS	LYS	C	C	60 - 62	61 - 63
4	4	VAL	VAL	LYS	LYS	D	D	60 - 62	61 - 63
1	5	VAL	VAL	ILE	ILE	A	A	67 - 69	68 - 70
2	5	VAL	VAL	ILE	ILE	B	B	67 - 69	68 - 70
3	5	VAL	VAL	ILE	ILE	C	C	67 - 69	68 - 70
4	5	VAL	VAL	ILE	ILE	D	D	67 - 69	68 - 70
1	6	ASN	ASN	ASN	ASN	A	A	71 - 93	72 - 94
2	6	ASN	ASN	ASN	ASN	B	B	71 - 93	72 - 94
3	6	ASN	ASN	ASN	ASN	C	C	71 - 93	72 - 94
4	6	ASN	ASN	ASN	ASN	D	D	71 - 93	72 - 94
1	7	LYS	LYS	TYR	TYR	A	A	98 - 110	99 - 111
2	7	LYS	LYS	TYR	TYR	B	B	98 - 110	99 - 111
3	7	LYS	LYS	TYR	TYR	C	C	98 - 110	99 - 111
4	7	LYS	LYS	TYR	TYR	D	D	98 - 110	99 - 111
1	8	GLU	GLU	LEU	LEU	A	A	115 - 124	116 - 125
2	8	GLU	GLU	LEU	LEU	B	B	115 - 124	116 - 125
3	8	GLU	GLU	LEU	LEU	C	C	115 - 124	116 - 125
4	8	GLU	GLU	LEU	LEU	D	D	115 - 124	116 - 125

#1: Protein	HYPOTHETICAL PROTEIN SSO2273 Mass: 15958.334 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) SULFOLOBUS SOLFATARICUS (archaea) / Strain: P2 / Plasmid: PDEST14 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q97WF3
#2: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: Zn
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 78 / 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: 2.65 Å³/Da / Density % sol: 53.6 % / Description: OFFLINE FUJI PLATE.
Crystal grow	pH: 7 Details: 5.6%-6.8% PEG 1000, 80MM ZN ACETATE AND 0.1M MES PH7. THE CRYSTALS WERE CRYOPROTECTED BY ADDITION OF 25% PEG 400.

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.6
Detector	Type: FUJIFILM / Detector: IMAGE PLATE / Date: Mar 27, 2007 / Details: MIRRORS
Radiation	Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.6 Å / Relative weight: 1
Reflection	Resolution: 2.3→28.89 Å / Num. obs: 30005 / % possible obs: 99.6 % / Observed criterion σ(I): 0 / Redundancy: 7.8 % / B_iso Wilson estimate: 0 Å² / R_merge(I) obs: 0.05 / Net I/σ(I): 23.8
Reflection shell	Resolution: 2.3→2.4 Å / Redundancy: 7.8 % / R_merge(I) obs: 0.32 / Mean I/σ(I) obs: 4.8 / % possible all: 98.5

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Processing

Software

Name	Version	Classification
REFMAC	5.5.0070	refinement
DENZO		data reduction
SCALEPACK		data scaling
SHELXCDE	SOLVE RESOLVE	phasing

Refinement

Method to determine structure:

SAD
Starting model: NONE

Resolution: 2.3→28.89 Å / Cor.coef. F_o:F_c: 0.95 / Cor.coef. F_o:F_c free: 0.929 / SU B: 13.785 / SU ML: 0.171 / Cross valid method: THROUGHOUT / ESU R: 0.273 / ESU R Free: 0.218 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES ONE TO NINE ARE DISORDERED IN CHAINS A AND D AND RESIDUES ONE TO EIGHT ARE DISORDERED IN CHAINS B AND C. ATOM RECORD CONTAINS SUM ...

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.24625	1577	5 %	RANDOM
R_work	0.20218	-	-	-
obs	0.20438	30005	99.75 %	-

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: 16.417 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.23 Å²	0 Å²	0 Å²
2-	-	-0.23 Å²	0 Å²
3-	-	-	0.46 Å²

Refinement step

Cycle: LAST / Resolution: 2.3→28.89 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4195	0	14	78	4287

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.013	0.022	4275
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	2999
X-RAY DIFFRACTION	r_angle_refined_deg	1.283	1.983	5766
X-RAY DIFFRACTION	r_angle_other_deg	0.88	3	7341
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.601	5	515
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	29.064	24.404	193
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.144	15	814
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.461	15	24
X-RAY DIFFRACTION	r_chiral_restr	0.071	0.2	643
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.021	4633
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	824
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	0.466	1.5	2579
X-RAY DIFFRACTION	r_mcbond_other	0.136	1.5	1046
X-RAY DIFFRACTION	r_mcangle_it	0.855	2	4182
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	1.479	3	1696
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	2.352	4.5	1584
X-RAY DIFFRACTION	r_scangle_other
X-RAY DIFFRACTION	r_long_range_B_refined
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

Refine LS restraints NCS

Ens-ID: 1 / Number: 1307 / Refine-ID: X-RAY DIFFRACTION

Dom-ID	Auth asym-ID	Type	Rms dev position (Å)	Weight position
1	A	medium positional	0.68	0.5
2	B	medium positional	0.6	0.5
3	C	medium positional	0.75	0.5
4	D	medium positional	0.75	0.5
1	A	medium thermal	0.77	2
2	B	medium thermal	0.73	2
3	C	medium thermal	0.72	2
4	D	medium thermal	0.67	2

LS refinement shell

Resolution: 2.298→2.357 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.287	127	-
R_work	0.227	2103	-
obs	-	-	98.54 %

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	16.3343	-0.7672	1.6471	5.6198	5.4666	12.7428	0.0039	0.255	-0.1391	0.0427	-0.1988	0.3063	-0.1807	-0.6383	0.1949	0.5371	0.0503	0.0312	0.2732	0.0534	0.2471	5.875	35.557	12.195
2	3.7038	-0.6535	0.6713	2.8942	0.026	6.4061	-0.1054	0.2068	0.0378	0.4386	0.1167	0.2941	-0.2148	-0.7784	-0.0114	0.2811	0.036	-0.0387	0.3688	0.0541	0.0893	1.92	36.616	-1.15
3	13.7804	-2.8054	0.2586	4.215	3.1837	5.31	-0.0907	-0.5796	0.7917	-0.0695	0.0857	-0.0709	-0.6532	-0.2807	0.005	0.7952	0.1457	0.0222	0.3087	0.1143	0.1754	4.539	45.258	4.103
4	5.9255	-2.1028	-2.2863	2.028	4.1842	9.7655	-0.1611	-0.1599	0.104	-0.2249	0.3765	-0.1178	-0.7357	0.8049	-0.2154	0.5018	0.0193	-0.1544	0.3089	-0.0054	0.148	15.047	36.523	5.277
5	4.4978	-2.0316	2.9139	6.8874	-4.7945	11.5667	0.0231	0.4854	-0.0071	-0.0016	-0.1248	-0.2984	-0.0704	0.1772	0.1017	0.3113	0.0282	-0.0225	0.3029	-0.0132	0.1186	11.224	34.188	-4.472
6	9.3103	4.7682	2.5209	16.616	-7.0676	7.9579	-0.1363	0.3911	-0.2252	-0.2783	0.0325	-0.4244	0.5695	0.0849	0.1037	0.4295	0.0084	-0.0343	0.2351	0.0035	0.171	8.152	25.355	5.414
7	1.7863	0.3824	-0.8224	4.3832	-0.8984	1.743	-0.2241	0.2715	0.0184	-0.4476	-0.0207	0.3247	-0.0414	-0.2639	0.2449	0.5966	-0.0499	-0.0575	0.3463	0.1074	0.2216	-1.3	21.534	18.113
8	4.8975	2.4171	-3.0817	9.4722	-0.731	2.0447	0.2897	0.2297	0.8103	-0.2148	0.1474	0.942	-0.2496	-0.2286	-0.4371	0.7001	0.0529	-0.0575	0.3649	0.1076	0.3303	-3.269	27.954	21.526
9	3.0034	-1.7369	-3.076	10.8527	1.1557	5.7785	-0.1737	0.4735	-0.0761	-0.8425	0.1037	-0.1926	0.3699	-0.282	0.07	0.6304	-0.0306	0.0341	0.1475	0.0504	0.15	6.257	15.694	19.665
10	2.9789	-4.4579	3.4868	14.4925	-0.6834	6.8345	0.0725	0.1443	-0.1878	-0.643	-0.0681	0.6698	0.0243	0.0992	-0.0044	0.7684	-0.1227	-0.1289	0.3958	0.0277	0.2367	-3.477	16.828	11.107
11	6.6403	-2.8033	0.5735	14.8038	5.1366	11.5117	0.1447	0.6463	0.3258	-0.3355	-0.2271	0.4212	-0.3965	-0.5103	0.0824	0.6073	0.0081	0.0529	0.1006	0.0424	0.1978	7.343	37.282	35.306
12	2.6473	2.4463	4.811	7.5841	5.0464	8.8146	0.1649	-0.2073	0.1549	-0.0584	-0.3517	-0.7961	0.24	-0.3777	0.1868	0.6636	-0.0578	0.11	0.1294	0.0851	0.2367	10.322	37.691	44.418
13	1.805	2.4624	-3.6382	7.6297	-7.4586	10.2653	0.2812	-0.7167	0.0504	0.4009	-0.4568	-0.6135	-0.2953	0.8211	0.1757	0.7036	-0.2214	0.1243	0.4919	-0.0049	0.2542	13.484	42.433	52.756
14	4.4266	0.399	-0.3276	4.9688	-1.7169	5.0406	0.0903	-0.2764	0.306	-0.0528	-0.1361	-0.443	-0.2623	0.2877	0.0458	0.6729	-0.0256	0.1799	0.0347	0.0025	0.2109	14.001	46.985	41.478
15	10.9994	0.4868	4.5227	4.4077	0.6986	7.8805	0.2017	-0.7948	0.7051	0.3034	-0.069	0.3629	-1.0011	-0.4115	-0.1327	0.7288	-0.0031	0.2035	0.0701	-0.0474	0.2562	3.507	47.078	47.256
16	1.4133	0.3694	-0.8551	9.925	5.226	5.9151	0.2189	-0.1882	0.0436	0.1608	-0.1288	0.33	0.0724	-0.3564	-0.0901	0.6227	-0.0144	0.1006	0.1054	0.0371	0.1672	1.742	34.891	45.497
17	1.2692	0.3618	-0.6222	9.6702	1.407	5.8998	-0.0312	0.0035	-0.1067	0.2123	0.0308	-0.2824	-0.0315	0.234	0.0004	0.5113	-0.0012	-0.0041	0.037	0.0369	0.0973	7.584	18.4	32.714
18	4.7641	-6.5883	0.9352	9.6616	0.8173	8.6703	-0.0757	-0.2144	0.5727	0.1256	0.4413	-0.995	-0.2724	0.6919	-0.3656	0.6031	-0.0943	-0.0749	0.1378	0.0881	0.4888	14.714	21.947	31.317
19	4.6221	4.6091	0.1654	9.9488	-0.4551	3.29	-0.1517	0.233	0.5122	0.1615	0.2278	0.6556	-0.2184	-0.3915	-0.0761	0.5503	0.0391	0.0704	0.0631	0.0447	0.1957	-0.486	24.51	32.107
20	8.8091	5.771	4.4682	7.9165	0.7883	5.2961	0.0728	-0.9158	0.1714	1.0313	-0.1242	0.2496	0.0695	-0.4736	0.0514	0.9437	0.0485	-0.0035	0.2074	-0.0008	0.1734	5.018	17.697	42.595
21	4.4919	-0.4093	1.0847	11.4777	2.6299	13.7876	0.0085	-0.5343	0.3315	0.0271	-0.0293	0.4261	-0.4408	-0.6287	0.0208	0.8215	0.0432	0.1136	0.0908	0.0094	0.2852	7.67	58.858	33.948
22	6.1217	1.4334	-6.4142	1.6235	1.0811	12.4419	0.1867	0.0744	0.2836	-0.3457	0.0095	-0.053	-0.8823	0.3121	-0.1962	0.9315	0.059	0.1357	0.3047	0.2182	0.3981	14.431	57.822	21.737
23	5.1033	-0.4008	3.3582	3.5383	0.8231	10.5123	0.1364	0.4862	0.2005	-0.1466	-0.0373	-0.409	-0.656	1.2485	-0.0991	0.7762	-0.0108	0.1264	0.171	0.07	0.3334	19.976	51.043	25.542
24	12.7157	-2.8801	-0.7694	4.9926	0.5297	0.4305	0.2584	0.0261	-0.3417	-0.2826	-0.173	0.0646	-0.0107	0.0146	-0.0854	0.7308	0.0223	0.0798	0.0309	0.0283	0.2025	10.367	46.268	29.824
25	2.9585	-1.1346	-2.4044	1.3232	3.646	10.4104	0.3163	0.3814	-0.3006	-0.1165	-0.0749	0.0048	-0.1052	-0.107	-0.2413	0.8114	0.0683	0.0378	0.1699	0.0118	0.3724	5.505	48.787	22.29
26	0.9146	-2.1569	-0.353	10.2254	4.3805	6.2667	0.1825	0.5231	0.0574	-0.2322	-0.23	0.2227	-0.425	-0.0383	0.0475	0.9373	0.1829	0.1006	0.5809	0.0866	0.2062	5.935	57.463	21.039
27	1.772	-0.9083	-1.3654	6.687	0.8688	6.2658	0.0511	-0.0434	-0.0026	0.0474	-0.1852	-0.545	0.3566	0.2193	0.1341	0.6132	0.04	0.0676	0.0172	0.0362	0.1743	7.139	75.175	37.089
28	3.3888	5.0641	-2.1301	15.379	7.8132	16.8193	0.1676	-0.1979	-0.4623	0.7142	0.0165	-1.0267	0.5708	0.5671	-0.1841	0.6967	0.0691	-0.0904	0.0853	0.0235	0.3855	11.721	72.587	43.034
29	3.6192	-1.1609	-1.0311	8.6717	-0.8156	3.6431	0.0275	0.0427	-0.5574	0.2227	-0.0064	0.3249	0.3277	0.0324	-0.0211	0.7488	-0.0486	0.0189	0.0296	-0.005	0.1693	-0.134	68.869	36.438
30	10.1442	-1.6668	-2.534	5.165	1.0835	3.0109	0.1037	0.7163	-0.0522	-0.4039	-0.0239	-0.3289	0.0119	-0.2132	-0.0798	0.6533	0.0074	0.0796	0.0672	0.0373	0.1819	4.855	78.128	29.341
31	4.4767	4.5008	3.3159	13.1297	-4.7058	10.5975	-0.1539	0.4912	-0.2027	-0.1493	0.0852	-0.2072	-0.3851	0.3454	0.0687	1.0484	0.1124	0.1832	0.437	-0.0206	0.3679	-3.608	57.57	57.224
32	2.8838	-0.2238	-1.0637	10.2707	4.7112	2.4989	0.495	-0.5569	0.1084	-0.1779	-0.8016	0.843	-0.2561	-0.2608	0.3065	1.3332	0.1235	0.3754	0.6011	0.1477	0.4633	-10.735	53.763	68.155
33	1.0628	0.5571	3.067	9.5136	2.2408	9.647	-0.0204	0.0968	0.0727	0.2499	0.2641	0.2794	-0.6353	0.1465	-0.2437	0.9041	0.0325	0.2199	0.2064	0.1252	0.3626	-3.851	47.686	61.055
34	0.3805	0.9824	1.5532	2.573	4.045	6.4251	0.002	0.1048	-0.1164	0.1471	0.3252	-0.3385	0.0784	0.6384	-0.3272	1.5817	-0.1403	-0.0592	0.7047	0.4131	0.7312	1.597	53.621	69.823
35	0.2933	-1.6995	1.1162	12.106	-5.7305	4.7733	-0.2085	-0.099	-0.0548	0.8836	0.3282	0.1735	-0.5773	-0.2455	-0.1197	1.2236	-0.0232	0.2398	0.4275	0.0537	0.2683	-3.021	61.294	67.801
36	8.0628	-2.9874	-4.3361	19.216	-6.8058	13.0739	0.1343	-0.5609	0.3091	1.5042	-0.1535	-0.8067	0.1312	0.465	0.0193	1.0947	-0.0352	0.0816	0.1381	0.0308	0.1776	-2.932	69.869	55.599
37	2.0773	-0.0747	1.1221	6.5498	-1.688	9.7062	0.0704	-0.0359	-0.0408	0.2625	-0.0348	0.7415	0.3409	-0.4346	-0.0356	0.5801	-0.0336	0.1499	0.0868	0.0325	0.202	-10.312	71.553	44.075
38	7.8473	5.2751	-1.6623	7.9915	-4.5442	3.0201	0.2975	0.4618	-0.7458	0.5343	0.002	0.1342	-0.1612	0.15	-0.2994	1.0838	0.0055	0.1154	0.1411	-0.0251	0.2798	-0.48	65.91	47.803
39	12.1044	1.348	-2.2637	10.5918	0.7809	2.6804	-0.0365	-0.4997	1.0004	0.9946	-0.0243	0.0722	-0.1401	0.0829	0.0608	0.8499	-0.024	0.0222	0.1161	-0.0013	0.204	0.672	79.497	49.91
40	9.3164	2.0913	-3.1634	9.94	5.1155	9.541	-0.2544	-0.94	0.3563	0.8842	0.0548	-0.1039	-0.1739	0.1166	0.1996	0.8943	0.0719	0.2206	0.1859	-0.0578	0.3165	-11.206	76.62	55.177

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	10 - 14
2	X-RAY DIFFRACTION	2	A	15 - 37
3	X-RAY DIFFRACTION	3	A	38 - 52
4	X-RAY DIFFRACTION	4	A	53 - 59
5	X-RAY DIFFRACTION	5	A	60 - 72
6	X-RAY DIFFRACTION	6	A	73 - 78
7	X-RAY DIFFRACTION	7	A	79 - 94
8	X-RAY DIFFRACTION	8	A	95 - 113
9	X-RAY DIFFRACTION	9	A	114 - 125
10	X-RAY DIFFRACTION	10	A	126 - 138
11	X-RAY DIFFRACTION	11	B	9 - 14
12	X-RAY DIFFRACTION	12	B	15 - 22
13	X-RAY DIFFRACTION	13	B	23 - 35
14	X-RAY DIFFRACTION	14	B	36 - 54
15	X-RAY DIFFRACTION	15	B	55 - 67
16	X-RAY DIFFRACTION	16	B	68 - 81
17	X-RAY DIFFRACTION	17	B	82 - 97
18	X-RAY DIFFRACTION	18	B	98 - 106
19	X-RAY DIFFRACTION	19	B	107 - 124
20	X-RAY DIFFRACTION	20	B	125 - 138
21	X-RAY DIFFRACTION	21	C	8 - 16
22	X-RAY DIFFRACTION	22	C	17 - 28
23	X-RAY DIFFRACTION	23	C	29 - 43
24	X-RAY DIFFRACTION	24	C	44 - 55
25	X-RAY DIFFRACTION	25	C	56 - 64
26	X-RAY DIFFRACTION	26	C	65 - 78
27	X-RAY DIFFRACTION	27	C	79 - 99
28	X-RAY DIFFRACTION	28	C	100 - 105
29	X-RAY DIFFRACTION	29	C	106 - 121
30	X-RAY DIFFRACTION	30	C	122 - 138
31	X-RAY DIFFRACTION	31	D	10 - 20
32	X-RAY DIFFRACTION	32	D	21 - 34
33	X-RAY DIFFRACTION	33	D	35 - 55
34	X-RAY DIFFRACTION	34	D	56 - 64
35	X-RAY DIFFRACTION	35	D	65 - 78
36	X-RAY DIFFRACTION	36	D	79 - 83
37	X-RAY DIFFRACTION	37	D	84 - 104
38	X-RAY DIFFRACTION	38	D	105 - 114
39	X-RAY DIFFRACTION	39	D	115 - 125
40	X-RAY DIFFRACTION	40	D	126 - 138

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