PDB-2wv0: Crystal structure of the GntR-HutC family member YvoA from Bacill...

ID or keywords:

Entry

Database: PDB / ID: 2wv0

Title

Crystal structure of the GntR-HutC family member YvoA from Bacillus subtilis

Components

HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

Keywords

TRANSCRIPTION /

REPRESSOR / DNA-BINDING /

TRANSCRIPTION REGULATION /

TRANSCRIPTIONAL REGULATOR / GNTR/HUTC FAMILY / CHORISMATE LYASE FOLD

Function / homology

Function and homology information

DNA-binding transcription factor activity / negative regulation of DNA-templated transcription /

Biological species

BACILLUS SUBTILIS (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MAD / Resolution: 2.4 Å

Authors

Resch, M. / Schiltz, E. / Titgemeyer, F. / Muller, Y.A.

Citation

Journal: Nucleic Acids Res. / Year: 2010
Title: Insight Into the Induction Mechanism of the Gntr/Hutc Bacterial Transcription Regulator Yvoa
Authors: Resch, M. / Schiltz, E. / Titgemeyer, F. / Muller, Y.A.

History

Deposition	Oct 12, 2009	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jan 12, 2010	Provider: repository / Type: Initial release
Revision 1.1	May 8, 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 Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / 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 / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Remark 650

HELIX DETERMINATION METHOD: PROVIDED BY DEPOSITOR

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2wv0.cif.gz	881.6 KB	Display	PDBx/mmCIF format
PDB format	pdb2wv0.ent.gz	739.5 KB	Display	PDB format
PDBx/mmJSON format	2wv0.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/wv/2wv0 ftp://data.pdbj.org/pub/pdb/validation_reports/wv/2wv0	HTTPS FTP

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Related structure data

Similar structure data	3cty-d 3r9u-1 3r9u-2 7bvv-1 5usx-d 5w4c-d 2an1-2 3c7j-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) 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

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

B: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

C: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

D: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

E: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

F: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

G: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

H: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

I: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

J: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

hetero molecules

277 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

B: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

hetero molecules

defined by author&software
55.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

D: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

hetero molecules

defined by author&software
55.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

E: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

F: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

hetero molecules

defined by author&software
55.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

G: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

hetero molecules

G: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

hetero molecules

defined by author&software
55.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

H: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

I: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

hetero molecules

defined by author&software
55.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

J: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA

defined by author&software
55.1 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	208.410, 137.080, 120.190
Angle α, β, γ (deg.)	90.00, 94.97, 90.00
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	G
3	1	H
4	1	J

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Refine code	Auth asym-ID	Auth seq-ID
1	1	1	5	A	1 - 77
2	1	1	5	G	1 - 77
3	1	1	5	H	1 - 77
4	1	1	5	J	1 - 77
1	2	1	5	A	78 - 242
2	2	1	5	G	78 - 242
3	2	1	5	H	78 - 242
4	2	1	5	J	78 - 242

#1: Protein	HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA / YVOA Mass: 27541.375 Da / Num. of mol.: 10 / Source method: isolated from a natural source / Source: (natural) BACILLUS SUBTILIS (bacteria) / Strain: 168 / References: UniProt: O34817
#2: Chemical	ChemComp-SO4 / SULFATE ION / Sulfate Mass: 96.063 Da / Num. of mol.: 15 / Source method: obtained synthetically / Formula: SO₄
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 769 / 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: 3 Å³/Da / Density % sol: 59.9 % / Description: NONE
Crystal grow	pH: 6.5 Details: 0.1 M HEPES, PH 6.5, 1.26 M AMMONIUM SULPHATE, 0.111 M NDSB 256, 0.010 M NA-EDTA AND 1%(W/V) PEG 1000

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: BESSY / Beamline: 14.2 / Wavelength: 0.97965
Detector	Type: MARRESEARCH / Detector: CCD / Date: May 28, 2008 / Details: MIRRORS
Radiation	Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97965 Å / Relative weight: 1
Reflection	Resolution: 2.4→45 Å / Num. obs: 249821 / % possible obs: 96.4 % / Observed criterion σ(I): 1.9 / Redundancy: 1.4 % / B_iso Wilson estimate: 63.4 Å² / R_merge(I) obs: 0.13 / Net I/σ(I): 9.2
Reflection shell	Resolution: 2.4→2.5 Å / R_merge(I) obs: 0.61 / Mean I/σ(I) obs: 1.9 / % possible all: 96.6

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
XDS		data reduction
XSCALE		data scaling
autoSHARP		phasing

Refinement

Method to determine structure:

MAD
Starting model: NONE

Resolution: 2.4→114 Å / Cor.coef. F_o:F_c: 0.948 / Cor.coef. F_o:F_c free: 0.916 / SU B: 16.305 / SU ML: 0.2 / Cross valid method: THROUGHOUT / ESU R: 0.33 / ESU R Free: 0.254 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.255	13035	10 %	RANDOM
R_work	0.199	-	-	-
obs	0.205	117314	99.3 %	-

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: 64.5 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	1.11 Å²	0 Å²	-0.25 Å²
2-	-	-0.75 Å²	0 Å²
3-	-	-	-0.41 Å²

Refinement step

Cycle: LAST / Resolution: 2.4→114 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	17771	0	75	769	18615

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.014	0.022	18253
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.251	1.966	24811
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.861	5	2386
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	39.716	24.155	746
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	18.144	15	2917
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.468	15	103
X-RAY DIFFRACTION	r_chiral_restr	0.092	0.2	2836
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.02	13797
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.196	0.2	7536
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.295	0.2	12289
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.152	0.2	954
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	0.208	0.2	133
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.163	0.2	16
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	0.361	1.5	12202
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.619	2	18930
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	1.228	3	6743
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	1.967	4.5	5868
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 / Refine-ID: X-RAY DIFFRACTION

Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	A	412	medium positional	0.54	0.5
2	G	412	medium positional	0.83	0.5
3	H	412	medium positional	0.43	0.5
4	J	412	medium positional	0.34	0.5
1	A	351	loose positional	0.69	5
2	G	351	loose positional	0.95	5
3	H	351	loose positional	0.84	5
4	J	351	loose positional	0.7	5
1	A	412	medium thermal	1.02	2
2	G	412	medium thermal	0.45	2
3	H	412	medium thermal	1.11	2
4	J	412	medium thermal	0.38	2
1	A	351	loose thermal	1.78	10
2	G	351	loose thermal	0.98	10
3	H	351	loose thermal	1.81	10
4	J	351	loose thermal	1.02	10

LS refinement shell

Resolution: 2.4→2.46 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.329	963	-
R_work	0.259	8671	-
obs	-	-	99.99 %

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	6.5085	-4.3476	-0.1839	22.2961	-11.9142	7.4769	-0.2241	0.0542	0.6703	1.4743	0.3384	1.0074	-1.1807	-1.1694	-0.1143	-0.0324	0.1428	-0.0697	0.2004	0.1179	0.1425	12.07	57.5427	-11.4556
2	13.0552	0.9175	4.3899	4.7468	-7.2503	13.6785	0.5412	-0.1019	1.1094	0.9425	-0.3354	-0.1996	-1.3978	0.891	-0.2058	0.1546	-0.0063	-0.0431	-0.0267	0.0386	-0.0247	21.4687	53.9788	-4.6091
3	7.2805	-2.2327	-1.0986	5.5591	-2.7294	16.3337	-0.0844	-1.3886	0.9376	1.6515	0.3786	0.0291	-1.9274	0.079	-0.2942	0.575	0.0824	0.0715	0.1141	-0.0675	0.1328	16.547	52.4861	5.7363
4	11.7616	-2.9576	-4.892	24.6531	-21.0994	25.0654	-0.231	0.5812	-0.1824	0.9677	1.2133	2.4346	0.1017	-1.1342	-0.9823	-0.1838	0.0265	-0.0016	0.1886	0.1244	0.1326	8.9332	48.0693	-4.4308
5	6.4828	-4.0318	1.3243	19.2409	-14.0114	14.4136	-0.4529	-0.5165	-0.0504	-0.2819	-0.4306	0.0181	0.3802	0.6882	0.8835	-0.0661	0.0696	-0.0263	0.0162	0.1014	-0.0055	20.6024	42.5783	0.748
6	21.9347	-7.486	-9.5879	2.5549	3.2722	4.191	-0.2348	-1.2752	-2.1804	0.2741	0.1769	0.2668	-0.007	0.0212	0.0579	0.2858	0.0151	0.158	0.4702	0.2799	0.1383	33.7318	44.833	3.3893
7	7.9105	-13.581	6.0029	23.4328	-10.8879	7.4607	-0.2551	-1.0939	-1.0316	0.381	0.0424	-0.2247	1.1393	-0.3433	0.2127	-0.1418	-0.086	-0.0627	-0.131	0.1104	0.0365	37.5742	45.3774	-8.5195
8	6.5611	-1.5387	-2.7775	1.41	-0.4604	7.0092	-0.0008	0.5002	-0.6087	-0.5353	-0.0867	0.2605	-0.1209	-0.1614	0.0875	-0.0767	-0.163	-0.0424	-0.2068	0.0051	0.066	39.7079	45.1436	-22.2919
9	8.8585	-4.8043	-1.8688	5.0596	1.4138	4.5929	-0.0589	0.7564	0.237	-0.3976	-0.0226	-0.4126	0.5611	0.3247	0.0815	0.0869	-0.0959	0.07	-0.1356	0.0252	-0.0385	47.9649	43.0067	-23.6395
10	2.4071	-1.9426	-1.8268	3.8703	0.5354	2.0737	0.104	0.4735	-0.6603	-0.6144	-0.2372	0.1151	0.3825	-0.3321	0.1332	0.0935	-0.0842	-0.0737	-0.1462	-0.0513	0.0494	40.6978	41.1348	-22.0103
11	0.6999	-1.3967	1.1362	7.7986	-0.0865	2.794	0.069	-0.2233	-0.4499	-0.4905	0.2414	-0.0656	0.2769	-0.2402	-0.3104	0.0948	-0.0342	0.1414	-0.2121	0.0817	0.1648	45.5314	39.4229	-13.7621
12	4.6507	-3.4351	1.4533	6.4219	-3.4323	3.3729	-0.1201	0.3659	0.1006	-0.134	-0.184	-0.203	-0.1241	0.085	0.3041	-0.0685	-0.0977	-0.0184	-0.2346	-0.0122	-0.0534	44.1483	54.7671	-18.1948
13	3.4987	-1.0698	0.4258	2.6416	-0.3802	2.2647	-0.0172	-0.3979	-0.1053	0.0891	0.0195	-0.4719	-0.1129	-0.197	-0.0023	-0.009	-0.0806	-0.046	-0.2245	0.0473	0.0565	46.5915	51.2278	-8.9471
14	2.9819	-0.3354	-1.2484	25.1835	-8.4113	5.3135	-0.2118	0.6157	-0.6644	-1.8188	0.2406	-0.3373	0.6309	0.033	-0.0288	0.1292	0.0331	0.1063	0.024	-0.1008	0.3101	76.6914	72.2004	-16.7953
15	5.3787	3.3196	-2.6222	16.4088	-4.6729	8.1567	-0.4586	0.4033	-0.7679	-1.4006	0.2787	-1.3062	0.5722	0.4075	0.1799	0.1193	0.1943	0.175	0.1315	-0.1071	0.7318	82.6175	62.7211	-15.4313
16	13.9624	0.2829	-5.1504	0.0698	-0.2344	2.164	0.1814	-0.4637	-0.9989	-0.0122	-0.2267	-1.5116	0.7519	0.4559	0.0453	0.2676	0.1229	0.0518	0.0131	0.0623	0.8692	75.3116	54.7717	-6.0148
17	9.2651	1.722	-3.8802	4.86	-0.7106	8.4842	0.0639	-0.4289	-0.6566	0.3737	-0.6823	-1.1551	0.2179	0.6293	0.6184	-0.0719	-0.0281	-0.1416	-0.1567	0.0454	0.0808	63.931	62.8987	-2.4129
18	7.2897	5.1594	-6.2181	13.4821	-3.1356	7.7834	-0.1483	-0.5339	0.573	1.7446	0.2941	1.1478	-0.2104	-0.7187	-0.1459	0.322	-0.0421	0.0397	0.2736	-0.0298	0.122	47.0259	71.069	13.6093
19	1.2047	-0.3335	0.5655	3.2036	-0.1246	0.2658	0.2873	-0.6504	0.3813	0.6956	-0.0376	-0.1853	-0.2369	0.1718	-0.2498	0.0717	-0.0878	-0.1036	-0.04	-0.0682	0.0342	56.3997	70.6956	4.2819
20	2.153	0.0776	1.3646	3.5588	-1.2422	4.4174	0.1826	-0.5521	-0.119	0.8248	-0.3194	-0.4937	-0.1171	0.3182	0.1368	0.1363	-0.1016	-0.074	0.0508	0.014	0.0332	57.0437	64.1248	7.4188
21	1.6218	0.6465	-0.5651	5.8813	-1.7453	2.1498	0.0693	-0.3141	-0.0961	0.0461	-0.065	-0.0474	0.018	0.0309	-0.0043	-0.0887	-0.073	-0.0715	-0.1635	0.0165	-0.0101	52.0274	62.2413	-3.0727
22	17.5722	0.2284	0.8566	8.303	-2.5956	12.5324	0.1391	0.428	-0.8476	-0.013	-0.0847	-1.2282	-0.0376	1.9767	-0.0544	0.1233	0.128	0.0208	0.3047	-0.1019	0.2765	88.3573	94.0243	-54.2351
23	8.1704	3.1369	1.4377	2.7005	2.1053	9.6849	0.5553	-0.0772	-0.6597	0.6927	-0.1181	-0.6237	0.935	0.1209	-0.4372	-0.0529	-0.0383	-0.069	0.1739	-0.0047	0.1082	90.0553	100.817	-41.5343
24	6.9004	-0.4866	-5.3434	2.4166	0.7326	7.235	0.3614	0.3648	0.5522	-0.0866	0.0711	-0.5153	-0.6151	0.8458	-0.4326	-0.1128	-0.1583	-0.0186	0.2255	0.0141	0.1798	90.0097	108.4846	-40.5252
25	4.4426	-1.1048	0.3394	2.7272	0.1231	2.5792	0.035	0.3776	0.255	-0.1262	0.003	0.2261	-0.4486	-0.5087	-0.0379	-0.012	-0.0113	0.003	0.111	0.0377	-0.0789	61.7407	108.7211	-36.6689
26	2.2125	-0.1198	0.6594	4.2862	0.9438	3.8697	-0.0275	0.1951	0.0393	0.1331	0.2374	0.0636	-0.3318	-0.2073	-0.2098	-0.1016	-0.0581	0.0509	-0.0235	0.0163	-0.114	65.3162	103.5224	-27.9849
27	2.9797	7.123	0.4876	19.1706	4.1758	4.3078	0.1725	0.2098	0.2734	-0.5944	-0.1989	1.4972	-0.1565	-0.6469	0.0264	-0.0814	-0.0643	0.0625	-0.0618	-0.144	0.1657	44.7251	80.8647	-1.419
28	6.5348	-0.3032	-2.0526	11.6607	-0.0633	12.9206	0.0055	0.4719	0.4692	-1.0179	-0.5328	1.5974	-0.6071	-2.0479	0.5273	0.0814	0.118	-0.0449	0.1435	-0.1515	0.3963	40.2512	92.2864	-1.0514
29	1.448	4.7534	3.8003	17.0601	10.8668	11.7509	0.2109	-0.2417	0.0436	-0.1262	-0.0736	0.2261	-0.6005	-0.2426	-0.1373	0.0917	-0.0027	0.1283	-0.1948	-0.0407	0.1148	47.4318	94.9481	5.7728
30	11.0748	1.2264	-0.7139	0.1899	-0.0733	0.0466	0.4766	-0.8275	1.6044	0.2804	-0.2954	1.0027	-1.0444	0.0741	-0.1813	0.2735	0.1649	0.1139	0.0943	-0.0718	0.3624	58.0988	101.9274	-4.1989
31	9.1803	0.3977	1.587	3.4849	-0.0294	2.9668	0.1934	-0.0528	-0.2495	0.1528	-0.0004	-0.6566	0.3412	0.5652	-0.1929	0.031	0.0206	0.0242	-0.1002	-0.0775	0.0153	76.5292	87.8909	-7.0058
32	3.6693	1.8374	2.0181	3.4099	1.0622	2.0829	0.2103	-0.514	-0.2286	0.7182	-0.1366	-0.416	0.2113	0.2417	-0.0737	0.062	-0.0185	0.005	-0.041	0.0149	0.0009	76.4856	89.595	-2.1665
33	1.3771	1.7716	-0.1223	3.0133	0.2901	2.7241	-0.0022	0.1705	-0.0768	-0.2114	0.1364	-0.0684	0.0357	0.1842	-0.1342	-0.1023	-0.0363	0.0248	-0.1737	-0.087	0.0334	70.7288	92.1058	-16.1191
34	9.4928	-6.7032	3.1914	9.5474	-6.4972	8.5678	-0.0831	0.5063	1.1637	0.2593	0.0328	-0.7458	-1.049	-0.095	0.0503	0.3647	-0.0102	0.2061	0.327	0.0899	0.5212	99.2985	74.0126	-81.3959
35	14.5498	-6.623	-2.1675	4.6241	0.349	2.0985	0.2645	1.2604	0.9123	-0.9127	-0.5159	-0.8281	0.1397	-0.0568	0.2514	0.6292	0.0075	0.1356	0.5444	0.0683	0.2518	93.3691	74.8824	-87.1547
36	4.4377	2.5064	0.424	6.0363	-1.5862	3.6206	-0.1471	0.0153	-0.0418	-0.2717	0.0014	0.1827	0.6399	-0.6144	0.1457	0.3062	-0.1185	0.0175	0.3156	-0.1754	-0.076	72.3083	65.6048	-72.1386
37	2.607	0.961	2.3189	3.4666	0.1673	3.0007	-0.0174	0.2795	-0.2208	-0.4668	-0.0811	0.1853	0.6525	-0.4153	0.0984	0.2728	-0.1424	-0.0034	0.3617	-0.1543	-0.0007	71.1377	64.5933	-73.3848
38	3.0552	-0.643	0.9246	2.8012	-1.3801	3.0536	-0.1393	0.1768	-0.1369	-0.0988	-0.0116	0.0552	0.0544	-0.3139	0.1508	0.1427	-0.0319	-0.0316	0.2602	-0.1695	-0.012	73.4899	74.8968	-67.8899
39	4.175	-1.1277	7.4481	6.118	5.0232	21.8009	0.3423	0.2817	-0.9518	0.7937	-0.0636	0.0108	2.0857	-1.9304	-0.2787	0.0072	-0.2221	0.0577	0.4567	-0.0553	0.1143	51.5349	92.6888	-41.3958
40	2.6411	2.1951	0.8767	7.1726	4.0963	14.837	0.1317	0.1076	-0.3853	0.3918	-0.2056	0.7633	1.1173	-2.3488	0.0739	-0.0262	-0.2306	-0.0433	0.9298	-0.1672	0.4939	41.7622	90.9094	-47.0036
41	9.7623	-3.4222	-12.1058	3.4198	5.6552	15.9093	0.0478	1.2509	-0.1392	-0.368	-0.514	0.5334	0.1732	-1.7109	0.4662	0.1162	0.0485	-0.2427	0.698	-0.1027	0.1682	48.8732	92.2776	-59.5839
42	2.2052	0.3036	-0.5596	5.1339	-0.0963	1.9969	0.2653	0.3235	-0.0411	0.0461	-0.0857	-0.0723	-0.1416	-0.3472	-0.1796	-0.1024	0.0717	-0.0814	0.3316	-0.0179	-0.1345	67.082	97.6976	-59.9579
43	19.3777	-3.7286	-7.2403	20.3228	4.9596	18.6921	-0.3779	0.9824	-0.1124	-1.4963	-0.0635	-1.5617	-0.0626	1.2745	0.4414	0.258	0.1222	0.2734	0.6026	0.0836	0.1742	84.6242	105.7433	-71.6562
44	1.2653	-0.8258	-0.3105	4.9745	-0.5905	2.7562	0.1401	0.3721	0.1315	-0.2061	-0.0544	-0.1017	0.0168	-0.2648	-0.0857	-0.0832	-0.0192	-0.0206	0.316	-0.0429	-0.1325	71.977	98.2066	-60.5896
45	1.2813	0.023	0.5352	1.6904	0.4549	3.5332	0.1061	0.3509	-0.1812	-0.3348	-0.0846	0.192	0.2112	-0.4082	-0.0216	0.0579	0.0627	-0.0468	0.3487	-0.096	-0.0031	69.8095	90.1734	-68.21
46	3.8234	-2.5465	1.2824	11.5296	-3.2083	4.8433	-0.3833	-1.3905	-0.5029	1.0122	0.2131	-0.0357	0.0369	-0.3072	0.1703	0.4046	-0.2135	0.1195	0.687	0.1034	0.259	75.7179	53.9131	-49.9023
47	18.7189	-5.9613	-5.0563	1.8984	1.6102	1.3658	-0.4148	-0.7265	-0.9453	-0.502	0.7968	-0.3019	0.3703	-0.3453	-0.382	0.7508	-0.1656	0.1065	0.5068	0.0515	0.6699	84.3758	43.2375	-54.1082
48	4.092	0.0367	-1.281	3.471	-0.3976	6.8691	-0.1989	0.4379	-0.5468	-0.2953	-0.0961	-0.2921	0.2659	-0.3942	0.295	0.2552	-0.1413	0.0707	-0.0387	-0.1121	0.4206	97.0908	51.2549	-72.3725
49	1.485	-0.7599	-0.1615	3.9701	0.416	8.4545	-0.0063	0.5481	-0.373	-0.3061	0.0514	-0.45	0.7566	-0.0016	-0.0451	0.2659	-0.0803	0.1559	0.075	-0.1356	0.2567	97.7065	53.1539	-75.1373
50	2.1948	0.6307	1.2088	2.5175	0.6587	2.4717	0.0733	0.227	-0.4287	-0.015	-0.1499	0.0017	0.5951	-0.0603	0.0766	0.3156	-0.0542	0.1166	0.026	-0.1204	0.3493	100.7042	50.0518	-69.954
51	0.6152	-2.0649	-1.0166	6.9709	3.0044	5.8319	0.2138	0.0437	-0.6736	0.6434	-0.438	1.0255	0.3327	-0.878	0.2242	0.3352	-0.022	0.2484	1.0896	-0.09	1.0301	-16.8241	77.965	-16.8931
52	3.2367	-2.3823	-0.5436	2.3031	0.1986	0.1652	-0.4863	1.6934	-0.0416	-0.4752	-0.7924	1.9597	0.434	-0.2865	1.2787	0.3137	0.2401	-0.1315	1.4824	0.0752	0.8628	-10.611	73.8392	-32.9948
53	4.2459	1.5179	-3.729	4.8513	0.0247	9.3573	0.642	0.9105	0.5059	-0.3024	-0.186	-0.4283	-1.887	-0.6368	-0.456	0.5704	0.6253	0.0138	0.7803	0.7324	0.6407	8.8861	85.251	-37.4736
54	5.0403	4.0473	-7.3512	4.7573	-3.0068	16.2865	0.0441	1.0116	1.7417	-0.3865	0.3967	0.4326	-1.8898	-1.419	-0.4408	0.7009	0.474	0.0384	0.7785	0.89	0.7455	7.274	86.1327	-34.3067
55	9.6552	-14.2333	-7.5155	20.9821	11.079	5.85	-0.724	-1.1791	1.4149	0.6048	1.4184	2.2688	0.5252	1.3026	-0.6944	0.8878	0.3727	-0.2996	1.0972	0.6439	0.8009	1.5974	87.3954	-45.6421
56	7.4688	-0.2274	0.6314	4.9831	6.8877	9.6403	0.1792	1.0547	1.4774	-0.086	0.0829	-0.4357	-1.8426	-0.5487	-0.2621	0.6019	0.2896	0.087	0.3004	0.4869	0.369	13.1489	77.5374	-26.8619
57	1.8175	0.3233	-1.629	7.1465	1.8567	7.02	0.4284	1.5344	0.4998	-0.2916	-0.016	-0.1524	-0.9283	-2.0322	-0.4124	0.0773	0.399	0.014	1.1082	0.5138	0.2652	7.8892	71.6466	-37.8715
58	7.268	-2.0303	7.8391	0.7202	-1.0948	16.2939	-0.6113	0.5344	1.194	-0.1634	0.1474	-0.7545	-0.9828	-0.0099	0.4638	0.0588	-0.0884	0.0404	0.0593	0.022	-0.0018	41.0562	58.8148	-34.299
59	4.6205	-1.0636	-2.4165	0.814	0.18	3.9197	0.1274	1.0789	0.3754	-0.442	-0.0228	-0.069	0.0908	-0.4302	-0.1046	0.1416	-0.1079	-0.0589	0.395	-0.0073	-0.0535	32.3073	55.6209	-42.2657
60	7.2255	3.6478	3.3144	1.8416	1.6733	1.5203	-0.5205	-0.4499	-0.8787	-0.0594	1.012	0.1864	0.5601	-2.5536	-0.4914	0.2292	-0.4043	0.0078	1.251	0.0948	0.2886	-0.0299	45.0154	-20.1952
61	3.5898	1.7735	0.9104	2.7709	-0.8231	4.4672	-0.2515	0.6112	-0.5842	-0.5231	0.3043	0.0043	0.943	-0.9322	-0.0528	-0.0247	-0.2001	-0.0816	0.2755	0.0112	-0.016	16.0363	49.4242	-25.1461
62	3.6239	1.2535	0.704	5.6439	0.4751	7.2533	-0.0156	1.4247	-0.6478	-0.0731	0.3214	-0.2731	1.2519	-1.2412	-0.3058	0.0095	-0.3086	-0.0047	0.6947	-0.063	0.0671	11.9579	47.9614	-30.8371
63	4.5498	0.4247	1.053	3.0435	1.1855	7.7913	-0.0701	0.7476	0.1961	-0.0311	0.1022	0.1745	-0.506	-1.4204	-0.0321	-0.0824	0.0249	-0.0391	0.4231	0.1663	-0.0896	13.467	59.9219	-28.43
64	3.7295	-1.1081	-2.8281	8.6623	2.3889	2.4323	0.3767	-0.6312	-0.0663	1.0213	0.1511	-0.7288	0.104	1.2503	-0.5278	1.1675	0.2501	0.1963	0.6619	0.6514	1.0623	22.264	95.7012	-23.1266
65	2.755	-0.2286	2.5949	2.6824	-1.5156	4.3888	0.1815	-0.7184	-0.5676	0.5576	0.2177	-0.6567	1.2709	-0.1554	-0.3992	0.9561	0.227	0.2355	0.3599	0.3485	0.8184	21.8365	100.5046	-30.0875
66	12.8721	-0.6083	-11.4759	4.2877	-0.3067	10.4004	-1.4277	-2.1003	0.7503	-0.8527	0.6582	0.5993	0.3074	2.6429	0.7695	0.9058	-0.0014	0.2362	0.8453	-0.0355	0.971	18.5934	111.4841	-17.9549
67	2.2885	-2.2636	-1.5741	2.3199	0.836	7.5156	0.5197	0.464	-0.2651	-0.2844	-0.5287	0.6919	-0.5698	-0.8195	0.0089	0.496	0.0898	0.3176	0.3424	0.0554	0.8634	-4.3862	102.5022	-14.7433
68	23.9813	-8.1284	-1.3994	3.5426	1.8728	2.5649	-0.5698	1.3049	0.8019	-0.0883	-0.0342	0.7583	0.4391	-0.9449	0.6039	0.5476	0.0644	0.2688	0.5712	0.0166	0.7503	-8.4342	98.6692	-16.6305
69	2.8627	4.155	0.2555	6.0308	0.3708	0.0228	-1.0212	1.1498	-0.0599	-1.4951	0.2342	0.7628	-0.1292	0.3332	0.787	0.986	0.1996	0.3016	0.7777	-0.0477	1.0889	-8.3158	109.2948	-18.5575
70	1.5386	-1.2457	-1.4367	5.388	1.9731	1.9545	0.1771	0.1512	0.3974	-0.0933	-0.3478	0.176	-0.0211	0.0828	0.1707	0.4927	0.12	0.3793	0.3089	0.0431	0.5442	-2.432	96.7009	-6.8148

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 11
2	X-RAY DIFFRACTION	2	A	12 - 26
3	X-RAY DIFFRACTION	3	A	27 - 43
4	X-RAY DIFFRACTION	4	A	44 - 54
5	X-RAY DIFFRACTION	5	A	55 - 68
6	X-RAY DIFFRACTION	6	A	69 - 86
7	X-RAY DIFFRACTION	7	A	87 - 94
8	X-RAY DIFFRACTION	8	A	95 - 114
9	X-RAY DIFFRACTION	9	A	115 - 138
10	X-RAY DIFFRACTION	10	A	139 - 161
11	X-RAY DIFFRACTION	11	A	162 - 187
12	X-RAY DIFFRACTION	12	A	188 - 218
13	X-RAY DIFFRACTION	13	A	219 - 243
14	X-RAY DIFFRACTION	14	B	1 - 22
15	X-RAY DIFFRACTION	15	B	23 - 59
16	X-RAY DIFFRACTION	16	B	60 - 85
17	X-RAY DIFFRACTION	17	B	86 - 103
18	X-RAY DIFFRACTION	18	B	104 - 126
19	X-RAY DIFFRACTION	19	B	127 - 152
20	X-RAY DIFFRACTION	20	B	153 - 192
21	X-RAY DIFFRACTION	21	B	193 - 242
22	X-RAY DIFFRACTION	22	C	1 - 8
23	X-RAY DIFFRACTION	23	C	9 - 35
24	X-RAY DIFFRACTION	24	C	36 - 87
25	X-RAY DIFFRACTION	25	C	88 - 167
26	X-RAY DIFFRACTION	26	C	168 - 242
27	X-RAY DIFFRACTION	27	D	1 - 19
28	X-RAY DIFFRACTION	28	D	20 - 50
29	X-RAY DIFFRACTION	29	D	51 - 68
30	X-RAY DIFFRACTION	30	D	69 - 90
31	X-RAY DIFFRACTION	31	D	91 - 123
32	X-RAY DIFFRACTION	32	D	124 - 180
33	X-RAY DIFFRACTION	33	D	181 - 242
34	X-RAY DIFFRACTION	34	E	3 - 37
35	X-RAY DIFFRACTION	35	E	38 - 85
36	X-RAY DIFFRACTION	36	E	86 - 123
37	X-RAY DIFFRACTION	37	E	124 - 192
38	X-RAY DIFFRACTION	38	E	193 - 242
39	X-RAY DIFFRACTION	39	F	1 - 22
40	X-RAY DIFFRACTION	40	F	23 - 53
41	X-RAY DIFFRACTION	41	F	54 - 83
42	X-RAY DIFFRACTION	42	F	84 - 111
43	X-RAY DIFFRACTION	43	F	112 - 127
44	X-RAY DIFFRACTION	44	F	128 - 212
45	X-RAY DIFFRACTION	45	F	213 - 242
46	X-RAY DIFFRACTION	46	G	2 - 51
47	X-RAY DIFFRACTION	47	G	52 - 84
48	X-RAY DIFFRACTION	48	G	85 - 118
49	X-RAY DIFFRACTION	49	G	119 - 145
50	X-RAY DIFFRACTION	50	G	146 - 242
51	X-RAY DIFFRACTION	51	H	1 - 53
52	X-RAY DIFFRACTION	52	H	54 - 93
53	X-RAY DIFFRACTION	53	H	94 - 120
54	X-RAY DIFFRACTION	54	H	127 - 152
55	X-RAY DIFFRACTION	55	H	153 - 179
56	X-RAY DIFFRACTION	56	H	180 - 209
57	X-RAY DIFFRACTION	57	H	210 - 242
58	X-RAY DIFFRACTION	58	I	1 - 25
59	X-RAY DIFFRACTION	59	I	26 - 107
60	X-RAY DIFFRACTION	60	I	108 - 126
61	X-RAY DIFFRACTION	61	I	127 - 152
62	X-RAY DIFFRACTION	62	I	153 - 192
63	X-RAY DIFFRACTION	63	I	193 - 242
64	X-RAY DIFFRACTION	64	J	1 - 41
65	X-RAY DIFFRACTION	65	J	42 - 62
66	X-RAY DIFFRACTION	66	J	63 - 82
67	X-RAY DIFFRACTION	67	J	83 - 118
68	X-RAY DIFFRACTION	68	J	119 - 147
69	X-RAY DIFFRACTION	69	J	148 - 183
70	X-RAY DIFFRACTION	70	J	184 - 242

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Yorodumi