PDB-4ld5: Crystal structure of MepR Q18P mutant from multidrug resistant S....

ID or keywords:

Entry

Database: PDB / ID: 4ld5

Title

Crystal structure of MepR Q18P mutant from multidrug resistant S. aureus clinical isolate

Components

MepR

Keywords

TRANSCRIPTION / multidrug resistance / winged helix-turn-helix / transcription repression

Function / homology

Function and homology information

DNA-binding transcription factor activity
Similarity search - Function

Biological species

Staphylococcus aureus (bacteria)

Method

X-RAY DIFFRACTION /

MOLECULAR REPLACEMENT / Resolution: 2.4 Å

Authors

Birukou, I. / Brennan, R.G.

Citation

Journal: MBio / Year: 2013
Title: The molecular mechanisms of allosteric mutations impairing MepR repressor function in multidrug-resistant strains of Staphylococcus aureus.
Authors: Birukou, I. / Tonthat, N.K. / Seo, S.M. / Schindler, B.D. / Kaatz, G.W. / Brennan, R.G.

History

Deposition	Jun 24, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 11, 2013	Provider: repository / Type: Initial release
Revision 1.1	Oct 30, 2013	Group: Database references
Revision 1.2	Feb 28, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _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	4ld5.cif.gz	439.3 KB	Display	PDBx/mmCIF format
PDB format	pdb4ld5.ent.gz	364.9 KB	Display	PDB format
PDBx/mmJSON format	4ld5.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	4ld5_validation.pdf.gz	515.7 KB	Display	wwPDB validaton report
Full document	4ld5_full_validation.pdf.gz	546.6 KB	Display
Data in XML	4ld5_validation.xml.gz	42.6 KB	Display
Data in CIF	4ld5_validation.cif.gz	59.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ld/4ld5 ftp://data.pdbj.org/pub/pdb/validation_reports/ld/4ld5	HTTPS FTP

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Related structure data

Related structure data	4l9jC 4l9nC 4l9tC 4l9vC C: citing same article (ref.)
Similar structure data	3hsr-1 3dzf-1 3dzj-1 4p90-2 6vip-d 4fny-d 7aw2-d 3dtw-2 3rop-2 7aw3-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) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: MepR

E: MepR

F: MepR

H: MepR

D: MepR

C: MepR

B: MepR

G: MepR

hetero molecules

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

1

A: MepR

B: MepR

hetero molecules

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

2

E: MepR

F: MepR

hetero molecules

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

3

H: MepR

G: MepR

hetero molecules

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

4

D: MepR

C: MepR

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

Unit cell

Length a, b, c (Å)	73.842, 45.841, 210.060
Angle α, β, γ (deg.)	90.000, 97.300, 90.000
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	MepR / MarR family transcription repressor MepR Mass: 16990.170 Da / Num. of mol.: 8 / Mutation: Q18P Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus (bacteria) / Gene: mepR / Production host: Escherichia coli (E. coli) / References: UniProt: Q5Y812
#2: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: SO₄
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 216 / 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: 2.59 Å³/Da / Density % sol: 52.59 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.7 Details: 0.2 M Na2SO4, 20% PEG 3350, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: ROTATING ANODE / Type: RIGAKU FR-E+ SUPERBRIGHT / Wavelength: 1.5418 Å
Detector	Type: RIGAKU RAXIS HTC / Detector: IMAGE PLATE / Date: May 20, 2013
Radiation	Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.5418 Å / Relative weight: 1
Reflection	Resolution: 2.4→42 Å / Num. all: 55487 / Num. obs: 51325 / % possible obs: 92.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 1.7

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Processing

Software

Name	Version	Classification
PHENIX	1.8.2_1309	refinement
PDB_EXTRACT	3.11	data extraction
CrystalClear		data collection
CrystalClear		data reduction
CrystalClear		data scaling
PHENIX	(Phaser)	phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.4→34.929 Å / Occupancy max: 1 / Occupancy min: 1 / SU ML: 0.38 / σ(F): 1.34 / Phase error: 30.51 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2684	1996	3.89 %	random
R_work	0.211	-	-	-
obs	0.2132	51304	92.47 %	-
all	-	55480	-	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso max: 201.78 Å² / B_iso mean: 63.6185 Å² / B_iso min: 12.78 Å²

Refinement step

Cycle: LAST / Resolution: 2.4→34.929 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8303	0	35	216	8554

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.012	8446
X-RAY DIFFRACTION	f_angle_d	1.595	11432
X-RAY DIFFRACTION	f_chiral_restr	0.112	1342
X-RAY DIFFRACTION	f_plane_restr	0.009	1469
X-RAY DIFFRACTION	f_dihedral_angle_d	22.267	3012

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 14

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.4-2.4601	0.3609	141	0.3104	3486	3627	93
2.4601-2.5266	0.3412	151	0.3032	3489	3640	93
2.5266-2.6009	0.352	129	0.2946	3474	3603	92
2.6009-2.6848	0.3621	150	0.2753	3512	3662	93
2.6848-2.7807	0.3083	131	0.2661	3488	3619	93
2.7807-2.892	0.3136	147	0.2579	3515	3662	92
2.892-3.0236	0.3372	142	0.2703	3539	3681	94
3.0236-3.1829	0.3087	143	0.2522	3495	3638	92
3.1829-3.3822	0.2723	132	0.2277	3423	3555	91
3.3822-3.643	0.2624	143	0.2174	3387	3530	89
3.643-4.0092	0.3016	136	0.186	3366	3502	88
4.0092-4.5882	0.2376	147	0.1685	3453	3600	89
4.5882-5.7764	0.2119	149	0.1921	3761	3910	97
5.7764-34.929	0.2577	155	0.201	3920	4075	98

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	1.4925	-0.3635	0.3947	2.2286	-1.7005	3.7195	0.2309	0.2406	-0.06	-0.217	-0.7464	-0.3044	0.2713	1.6013	0.1919	0.5451	0.0301	-0.0496	1.366	0.2277	0.6331	-6.0652	32.8968	-95.4811
2	6.7217	-0.2069	0.8969	3.4681	-0.5319	4.4101	0.3004	0.3518	0.467	-0.5843	-0.1855	-0.0011	0.8726	-0.3961	-0.1578	0.6641	-0.0056	-0.0474	0.7016	-0.0517	0.2586	-20.921	30.9917	-85.3807
3	5.3694	1.405	1.8491	2.8961	0.2365	2.8608	-0.1128	0.1502	-0.5094	-0.7801	-0.2786	-0.1656	2.6702	0.5467	-0.0363	1.0089	-0.0057	0.0895	0.7019	-0.2036	0.5079	-23.5291	20.8749	-86.0037
4	4.1369	0.6184	-0.1477	3.0625	-0.0244	1.9113	0.2294	0.6725	0.3544	-0.639	0.1486	0.5186	0.2216	0.2392	-0.3094	0.6069	-0.0172	-0.1465	0.6591	0.0368	0.342	-33.2666	26.1412	-80.859
5	7.7721	1.5062	1.5627	4.731	0.1242	4.1072	-0.2584	0.8058	-0.7169	-0.2431	-0.138	-0.1108	-0.1539	0.6474	-0.0845	0.423	-0.0335	-0.0437	0.6133	-0.0379	0.31	-21.0801	33.9011	-79.2976
6	2.7917	-0.9755	2.5175	1.3334	-0.5245	4.6937	0.347	-0.1657	0.6521	0.4	-1.7171	-0.3089	0.4207	0.803	1.1276	0.6319	-0.2245	-0.0227	1.2833	0.3844	0.8636	-0.9546	43.2652	-88.3684
7	1.1636	-1.6095	1.1862	5.6708	-1.047	7.2447	0.1202	-0.3552	2.0648	1.2207	-1.4458	1.038	0.4225	0.42	1.1837	0.6975	-0.1115	0.039	0.7365	-0.0639	0.7569	-14.4306	45.6177	-94.9773
8	2.3304	-0.5386	0.6013	2.4907	-0.9738	0.6692	-0.6223	0.8876	-0.0507	-0.9891	-0.0536	-0.3283	0.6723	-0.5207	0.05	0.7557	-0.3011	0.1787	0.7536	0.0059	0.4959	23.8599	39.4491	-60.0206
9	1.642	-0.299	1.0533	4.5866	-0.1611	5.1278	0.3254	0.2752	0.1477	-0.2115	-0.1503	0.5058	-0.0924	0.4431	-0.1856	0.3247	-0.0239	0.0386	0.5105	0.01	0.4512	16.0933	28.7358	-41.7877
10	8.1476	2.9358	-0.2463	9.5688	3.9998	5.7934	0.7672	0.6677	-0.8105	-0.5592	-0.1518	-0.8698	0.0361	-0.0141	-0.4097	0.5658	0.1078	0.0417	0.6198	0.0084	0.3859	23.7724	21.4722	-41.8223
11	2.723	0.4384	-1.8061	1.6688	-1.0337	3.7917	-0.3353	0.6025	0.213	-0.5049	0.5627	-0.0404	0.2147	-0.4174	-0.109	0.4887	-0.1507	0.0364	0.59	0.0307	0.4145	14.8031	30.5569	-45.6027
12	1.7343	1.822	-0.9091	2.0455	-0.5225	1.5387	0.0002	-1.2774	-0.7036	0.7026	-0.1232	-0.1106	0.5822	0.2967	0.0205	0.6767	-0.1129	0.1197	0.9401	0.1129	0.5734	24.8367	30.5694	-60.0006
13	1.6758	-1.0041	2.2812	2.5695	-2.3742	3.5772	-0.1705	-0.2792	-0.1055	0.6046	0.4572	0.3521	-0.4973	-0.1128	-0.3305	0.5482	0.0806	0.2087	0.7098	-0.0362	0.6932	32.2762	41.3315	-74.5167
14	1.7526	-2.4073	0.1745	6.0767	-2.639	1.8863	-0.1314	-0.573	0.7593	-0.1546	0.3797	-0.446	-0.7534	-0.2025	-0.0925	0.7571	-0.0483	0.0749	0.7644	-0.1661	0.722	36.9373	50.7052	-76.4839
15	6.354	2.2862	-1.3567	0.7762	-0.4681	0.2796	0.0174	0.9052	0.9488	-0.0497	0.3939	0.6392	1.4277	-1.1278	-0.2616	0.7581	-0.2979	-0.0342	0.7867	-0.0117	0.4236	27.0136	29.2973	-75.7644
16	4.2663	1.8563	0.5112	8.2856	2.6239	3.9234	0.111	0.5981	0.5847	-1.5357	-0.9038	0.6721	0.5476	-0.2332	0.3965	1.0692	-0.3148	-0.1526	1.4883	0.4099	0.697	12.3047	37.5202	-69.7094
17	4.0807	-0.8538	1.9588	2.4744	-1.2861	2.682	-0.4949	1.4434	0.2552	-0.8136	0.2115	0.0681	-0.5023	0.5389	0.1786	0.4218	0.0178	-0.0569	0.5417	0.0056	0.3808	-16.4823	23.4411	-47.9164
18	2.0886	3.0162	0.2793	4.6935	-1.2402	1.8278	-0.3841	0.8296	0.0855	-0.6984	0.1122	-0.0476	-0.0443	0.2011	0.234	0.4377	0.0998	-0.0757	0.2901	0.0059	0.2379	-10.5133	16.8286	-34.3714
19	5.4563	-2.3828	-1.0995	8.5762	1.9115	2.6002	0.3961	1.035	-0.4264	-0.3048	-0.6954	0.0505	0.0346	-0.3662	-0.0083	0.5661	0.1379	-0.064	0.3069	-0.0173	0.3541	-14.9707	6.5442	-33.6916
20	5.7548	3.3239	4.6433	7.5892	5.1095	6.8663	0.2549	1.1315	-0.5846	0.2793	0.646	-1.0575	0.9293	1.2052	-0.2966	0.4545	0.188	-0.0183	0.394	-0.0358	0.2479	-2.1083	8.2714	-32.4815
21	1.349	1.5265	0.9067	5.3565	-1.0485	2.3778	-0.2171	0.546	-0.0517	0.1572	0.5069	0.4424	0.3163	0.1234	-0.1036	0.2638	0.039	0.0349	0.183	-0.0203	0.4404	-10.202	3.0794	-23.8732
22	3.3582	-0.9809	2.4486	0.6412	-0.9611	2.6254	-0.1153	0.1982	0.2833	0.1019	0.0646	0.4024	-0.1921	-0.4988	0.0697	0.2498	0.0261	-0.0222	0.3584	0.0637	0.3356	-23.5128	21.0154	-36.1944
23	3.7118	0.7856	0.7214	0.9259	1.7541	3.8447	-0.1584	-0.0507	0.2593	-0.978	-0.5322	0.318	-1.4491	0.1662	0.5056	0.5004	0.1163	-0.1207	0.2812	0.0435	0.3428	12.4361	19.1069	-10.0375
24	0.038	0.8091	-0.0287	9.1366	-1.894	8.8129	0.6678	0.5196	0.0951	-0.7064	-0.3123	0.1631	-0.2598	-0.2834	-0.205	0.4103	0.0715	-0.0173	0.374	0.0498	0.301	16.1984	31.2145	7.933
25	2.9422	-1.1531	0.0815	4.8776	1.065	5.1929	0.3753	0.6518	0.6502	-0.9303	-0.1453	-0.4551	-0.5212	0.4982	-0.1481	0.4328	-0.0008	0.0568	0.381	0.144	0.4327	23.6579	36.7943	10.5155
26	4.9926	-1.6178	-1.697	2.9671	0.6499	3.4615	-0.2425	0.1404	-0.5212	0.4419	0.0375	0.1273	0.5333	0.1389	0.1374	0.7243	0.1564	0.0782	0.3407	0.1383	0.4568	12.5839	13.7266	3.412
27	1.0472	-1.36	1.1607	1.7734	-2.0436	7.638	0.1423	-0.0161	0.1852	-0.0168	-0.4482	-0.3121	-0.0612	1.3603	0.1992	0.3061	0.0193	0.075	0.3726	0.0131	0.4132	14.8372	24.4193	-10.3976
28	4.0455	2.1216	-0.7801	6.0467	2.6812	5.9989	0.476	-0.3698	0.8698	0.9222	-0.4893	0.8848	-0.0902	-0.0162	-0.0541	0.4485	0.0751	0.0267	0.2817	-0.1248	0.3932	-0.6076	30.1279	-14.8133
29	8.7001	2.3844	-0.3323	0.6733	-0.2591	7.2231	0.8131	-0.7738	0.7304	-0.8547	-0.2949	0.1436	-1.2699	-0.2957	0.1726	0.5223	0.0248	0.0199	0.1291	-0.029	0.5236	5.2623	36.8586	-23.6692
30	5.6043	-2.396	1.3915	4.0443	-0.5487	2.5482	-0.0794	-0.0348	-0.1101	-0.0023	0.0542	0.2871	-0.1763	0.151	0.0711	0.2941	0.0274	-0.0558	0.1895	0.0038	0.2022	0.0246	26.3382	-24.7569
31	4.0398	-2.3529	3.5092	6.5314	-0.3671	3.717	0.3405	-0.112	0.2336	-0.593	0.2079	-0.68	-0.1313	1.0713	1.3624	0.389	0.3814	0.0052	0.9413	0.1905	0.4273	24.5727	13.2576	-11.8456
32	3.1568	-3.4952	-1.5279	3.8729	1.2337	8.5342	-0.2712	0.472	-0.9419	0.0115	-0.074	0.2899	1.5045	0.1737	0.2769	0.5643	-0.0318	0.0159	0.2609	-0.0133	0.4467	10.8348	10.0248	-7.4825
33	2.2401	-1.7308	-0.1052	5.136	3.9337	4.4293	0.015	-0.3405	-0.0196	0.1396	-0.614	0.1167	-0.0885	0.5134	0.253	0.521	-0.0518	0.0631	0.7938	0.0716	0.4398	-13.2603	32.9707	-99.6527
34	8.0711	1.9473	1.4178	8.919	3.334	5.6479	0.6277	-0.2793	1.2005	-0.8561	0.0725	-0.0342	-1.1432	-0.9757	-0.1602	0.6592	-0.1127	-0.0093	0.8748	0.018	0.551	-3.9608	25.876	-108.9956
35	2.647	0.024	-2.5311	4.9092	-0.6602	2.5418	-0.2689	0.985	0.8835	-0.4884	-0.9867	-1.9909	1.3396	0.9031	-0.7133	1.056	-0.0302	-0.2108	1.6847	0.3059	1.2341	6.7368	26.8815	-105.2899
36	4.9361	1.5774	-0.2264	5.2717	-5.6295	6.4737	0.3835	1.0757	0.4548	1.6753	-0.6281	-0.4753	-0.2857	0.1347	-0.3949	1.772	-0.0115	0.0496	0.5869	-0.0676	0.8486	-2.5498	18.1874	-100.4444
37	2.7098	0.9298	1.1591	5.3228	-0.0566	5.1125	0.6463	-0.6921	0.0283	0.8704	-0.0524	-1.084	0.5446	0.8493	-0.3742	0.6465	0.0736	-0.0581	0.7822	-0.009	0.728	-0.9255	21.4653	-114.2526
38	5.6939	3.6291	3.1227	3.5785	0.8989	2.796	-0.3246	0.285	0.3126	0.3866	1.214	0.6182	0.7422	0.4456	-0.0293	0.6688	-0.0372	-0.0181	1.0346	0.1147	0.6069	-17.6805	41.8061	-108.0333
39	4.1308	-0.3699	1.3117	4.9731	1.2654	5.6363	0.019	1.0051	-0.0076	2.1319	-0.0059	-0.1946	0.4295	1.0432	-0.0478	0.9332	-0.8742	0.1933	0.8493	0.7068	-0.1053	-4.2737	43.9295	-102.0426
40	3.2471	-0.4911	-2.0771	2.6041	-0.5544	4.9666	-0.3632	-0.7875	-0.778	0.2307	0.5852	1.1194	0.5287	0.6474	-0.3923	0.3635	0.0142	-0.0009	0.6333	0.0792	0.3558	-21.8589	17.553	-40.0798
41	7.4609	0.9954	-7.7407	3.0224	-0.1085	8.3674	-0.7256	1.1367	-1.0819	0.1388	0.0206	-0.2955	1.3009	1.1102	0.4483	0.4572	0.2588	0.0739	0.9405	0.0551	0.34	-9.2707	12.4821	-54.9848
42	7.6712	1.6394	1.0801	7.5918	2.3153	5.5618	-0.4133	0.1541	0.4003	0.4872	-0.2507	0.4381	-0.6819	0.438	0.7402	0.5786	-0.0393	-0.016	0.7389	-0.0146	0.3052	-16.2579	27.17	-61.7749
43	2.4084	-1.7656	-2.9565	9.9739	-2.0056	7.1428	-0.7695	-0.7623	1.4352	-0.7736	0.4807	-0.6397	0.0799	-0.1117	0.0288	0.8973	-0.4581	-0.0134	1.5932	-0.2781	0.6771	-10.8709	35.0764	-56.1569
44	9.9102	-7.1734	-3.4525	5.9533	0.8715	4.5955	-0.206	-1.0911	1.9763	-0.8315	0.0039	-2.0202	-1.5166	2.9628	-0.006	0.765	-0.1524	-0.0325	1.4447	-0.0539	0.4888	-3.0876	29.372	-61.3324
45	1.5285	-0.1301	0.7458	2.4769	-2.8055	5.2895	-0.1935	-0.1751	0.2626	-0.5988	-0.5848	-0.3368	0.0056	1.5177	-3.0589	0.3993	-0.0795	0.2543	1.4136	0.1188	0.2983	-7.9933	28.5423	-70.0314
46	3.428	0.9	4.4205	2.7559	1.8759	6.2104	0.2079	-0.936	-0.4046	1.2951	0.605	2.5251	-0.0692	0.5983	-0.4287	0.9243	-0.2305	0.0777	0.9652	0.0536	0.7286	-12.2927	43.8443	-70.7738
47	0.9219	0.074	-0.3672	0.8099	-1.1683	2.6675	0.5133	-0.2465	-0.3961	0.3513	-0.5539	0.0306	-0.1498	0.3009	0.084	0.5339	0.0048	-0.0782	0.6935	-0.0142	0.3781	-19.6008	15.9697	-60.8588
48	3.2599	1.0696	1.1751	3.931	2.0809	1.8101	-0.0246	-0.1567	0.4005	-0.6755	-0.3001	0.7803	-0.1058	-0.2083	0.316	0.3174	0.1101	-0.0672	0.448	0.0678	0.3914	-31.4578	22.6046	-50.7495

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 2 through 26 )	A
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 27 through 49 )	A
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 50 through 73 )	A
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 74 through 88 )	A
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 89 through 106 )	A
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 107 through 120 )	A
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 121 through 139 )	A
8	X-RAY DIFFRACTION	8	chain 'E' and (resid 3 through 26 )	E
9	X-RAY DIFFRACTION	9	chain 'E' and (resid 27 through 49 )	E
10	X-RAY DIFFRACTION	10	chain 'E' and (resid 50 through 73 )	E
11	X-RAY DIFFRACTION	11	chain 'E' and (resid 74 through 139 )	E
12	X-RAY DIFFRACTION	12	chain 'F' and (resid 1 through 26 )	F
13	X-RAY DIFFRACTION	13	chain 'F' and (resid 27 through 49 )	F
14	X-RAY DIFFRACTION	14	chain 'F' and (resid 50 through 94 )	F
15	X-RAY DIFFRACTION	15	chain 'F' and (resid 95 through 118 )	F
16	X-RAY DIFFRACTION	16	chain 'F' and (resid 119 through 139 )	F
17	X-RAY DIFFRACTION	17	chain 'H' and (resid 1 through 26 )	H
18	X-RAY DIFFRACTION	18	chain 'H' and (resid 27 through 42 )	H
19	X-RAY DIFFRACTION	19	chain 'H' and (resid 43 through 60 )	H
20	X-RAY DIFFRACTION	20	chain 'H' and (resid 61 through 73 )	H
21	X-RAY DIFFRACTION	21	chain 'H' and (resid 74 through 88 )	H
22	X-RAY DIFFRACTION	22	chain 'H' and (resid 89 through 139 )	H
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 1 through 16 )	D
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 17 through 49 )	D
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 50 through 104 )	D
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 105 through 139 )	D
27	X-RAY DIFFRACTION	27	chain 'C' and (resid 1 through 43 )	C
28	X-RAY DIFFRACTION	28	chain 'C' and (resid 44 through 60 )	C
29	X-RAY DIFFRACTION	29	chain 'C' and (resid 61 through 73 )	C
30	X-RAY DIFFRACTION	30	chain 'C' and (resid 74 through 106 )	C
31	X-RAY DIFFRACTION	31	chain 'C' and (resid 107 through 120 )	C
32	X-RAY DIFFRACTION	32	chain 'C' and (resid 121 through 139 )	C
33	X-RAY DIFFRACTION	33	chain 'B' and (resid 1 through 31 )	B
34	X-RAY DIFFRACTION	34	chain 'B' and (resid 32 through 42 )	B
35	X-RAY DIFFRACTION	35	chain 'B' and (resid 43 through 49 )	B
36	X-RAY DIFFRACTION	36	chain 'B' and (resid 50 through 60 )	B
37	X-RAY DIFFRACTION	37	chain 'B' and (resid 61 through 106 )	B
38	X-RAY DIFFRACTION	38	chain 'B' and (resid 107 through 120 )	B
39	X-RAY DIFFRACTION	39	chain 'B' and (resid 121 through 139 )	B
40	X-RAY DIFFRACTION	40	chain 'G' and (resid 1 through 15 )	G
41	X-RAY DIFFRACTION	41	chain 'G' and (resid 16 through 30 )	G
42	X-RAY DIFFRACTION	42	chain 'G' and (resid 31 through 49 )	G
43	X-RAY DIFFRACTION	43	chain 'G' and (resid 50 through 60 )	G
44	X-RAY DIFFRACTION	44	chain 'G' and (resid 61 through 73 )	G
45	X-RAY DIFFRACTION	45	chain 'G' and (resid 74 through 81 )	G
46	X-RAY DIFFRACTION	46	chain 'G' and (resid 82 through 88 )	G
47	X-RAY DIFFRACTION	47	chain 'G' and (resid 89 through 118 )	G
48	X-RAY DIFFRACTION	48	chain 'G' and (resid 119 through 139 )	G

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