PDB-6bal: 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase...

ID or keywords:

Entry

Database: PDB / ID: 6bal

Title

2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae in Complex with L-Malate

Components

Malate dehydrogenase

Keywords

OXIDOREDUCTASE / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID / Malate Dehydrogenase / L-Malate

Function / homology

Function and homology information

malate dehydrogenase / L-malate dehydrogenase (NAD+) activity / malate metabolic process / tricarboxylic acid cycle / cytoplasm
Similarity search - Function

Biological species

Haemophilus influenzae (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.1 Å

Authors

Minasov, G. / Wawrzak, Z. / Skarina, T. / Grimshaw, S. / Satchell, K.J.F. / Savchenko, A. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)

Citation

Journal: To Be Published
Title: 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae in Complex with L-Malate
Authors: Minasov, G. / Wawrzak, Z. / Skarina, T. / Grimshaw, S. / Satchell, K.J.F. / Savchenko, A. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)

History

Deposition	Oct 13, 2017	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 25, 2017	Provider: repository / Type: Initial release
Revision 1.1	Oct 4, 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	6bal.cif.gz	924.6 KB	Display	PDBx/mmCIF format
PDB format	pdb6bal.ent.gz	770.4 KB	Display	PDB format
PDBx/mmJSON format	6bal.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/ba/6bal ftp://data.pdbj.org/pub/pdb/validation_reports/ba/6bal	HTTPS FTP

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Related structure data

Related structure data	3hhpS 6aoo S: Starting model for refinement
Similar structure data	1mld-1 1emd-1 1ib6-2 6ka1-1 6ka0-1 2cmd-1 6h9s-d 5gt9-d 1mld-2 2x0r-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
Other databases	TargetTrack: CSGID-IDP07201

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#154 - Oct 2012 Citric Acid Cycle similarity (10) #102 - Jun 2008 Lactate Dehydrogenase similarity (6) #190 - Oct 2015 Two-component Systems similarity (1) #142 - Oct 2011 PDB Pioneers similarity (6)

Deposited unit

A: Malate dehydrogenase

B: Malate dehydrogenase

C: Malate dehydrogenase

D: Malate dehydrogenase

E: Malate dehydrogenase

F: Malate dehydrogenase

G: Malate dehydrogenase

H: Malate dehydrogenase

hetero molecules

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

1

A: Malate dehydrogenase

B: Malate dehydrogenase

hetero molecules

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

2

C: Malate dehydrogenase

D: Malate dehydrogenase

hetero molecules

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

3

E: Malate dehydrogenase

F: Malate dehydrogenase

hetero molecules

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

4

G: Malate dehydrogenase

H: Malate dehydrogenase

hetero molecules

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

Unit cell

Length a, b, c (Å)	74.108, 78.079, 114.029
Angle α, β, γ (deg.)	71.09, 75.44, 68.06
Int Tables number	1
Space group name H-M	P1

#1: Protein	Malate dehydrogenase Mass: 35318.438 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (bacteria) Strain: ATCC 51907 / DSM 11121 / KW20 / Rd / Gene: mdh, HI_1210 / Plasmid: pMCSG53 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21-CodonPlus(DE3)-RIL / References: UniProt: P44427, malate dehydrogenase
#2: Chemical	ChemComp-LMR / (2S)-2-hydroxybutanedioic acid / L-Malate Mass: 134.087 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₆O₅
#3: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 17 / Source method: obtained synthetically / Formula: Cl
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1280 / 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: 1.9 Å³/Da / Density % sol: 35.3 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: Protein: 20.0 mg/ml, 0.3M Sodium chloride, 0.01M HEPES pH 7.5; Screen: 0.2M Ammonium formate, 20% (w/v) PEG3350, 0.25mM DL-Malic acid; Cryo: paratone.

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Apr 20, 2017 / Details: C(111)
Radiation	Monochromator: Be / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97872 Å / Relative weight: 1
Reflection	Resolution: 2.1→30 Å / Num. obs: 126522 / % possible obs: 98.2 % / Observed criterion σ(I): -3 / Redundancy: 4 % / B_iso Wilson estimate: 28.3 Å² / R_merge(I) obs: 0.093 / R_pim(I) all: 0.054 / R_rim(I) all: 0.108 / R_sym value: 0.093 / Χ²: 1.021 / Net I/σ(I): 13.4
Reflection shell	Resolution: 2.1→2.14 Å / Redundancy: 3.9 % / R_merge(I) obs: 0.662 / Mean I/σ(I) obs: 2.1 / Num. unique obs: 6257 / CC_1/2: 0.665 / R_pim(I) all: 0.392 / R_rim(I) all: 0.77 / R_sym value: 0.662 / Χ²: 1.019 / % possible all: 97.2

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0158	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3HHP

3hhp

Resolution: 2.1→29.75 Å / Cor.coef. F_o:F_c: 0.965 / Cor.coef. F_o:F_c free: 0.941 / SU B: 11.591 / SU ML: 0.152 / Cross valid method: THROUGHOUT / ESU R: 0.253 / ESU R Free: 0.191 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.21869	6277	5 %	RANDOM
R_work	0.16958	-	-	-
obs	0.17202	120245	97.85 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å

Displacement parameters

B_iso mean: 35.765 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.55 Å²	-0.88 Å²	-0.44 Å²
2-	-	0.27 Å²	0.77 Å²
3-	-	-	-0.23 Å²

Refinement step

Cycle: 1 / Resolution: 2.1→29.75 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	18305	0	26	1280	19611

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.008	0.019	18733
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	18407
X-RAY DIFFRACTION	r_angle_refined_deg	1.359	1.989	25469
X-RAY DIFFRACTION	r_angle_other_deg	0.863	3	42672
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	2.403	5	2516
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	25.698	25.104	670
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	9.068	15	3174
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	12.609	15	96
X-RAY DIFFRACTION	r_chiral_restr	0.076	0.2	3087
X-RAY DIFFRACTION	r_gen_planes_refined	0.022	0.021	20979
X-RAY DIFFRACTION	r_gen_planes_other	0.02	0.02	3373
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	1.279	2.427	10040
X-RAY DIFFRACTION	r_mcbond_other	1.279	2.427	10039
X-RAY DIFFRACTION	r_mcangle_it	2.138	3.632	12564
X-RAY DIFFRACTION	r_mcangle_other	2.138	3.632	12565
X-RAY DIFFRACTION	r_scbond_it	1.453	2.617	8693
X-RAY DIFFRACTION	r_scbond_other	1.453	2.616	8690
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	2.403	3.833	12904
X-RAY DIFFRACTION	r_long_range_B_refined	4.753	30.19	20784
X-RAY DIFFRACTION	r_long_range_B_other	4.687	29.879	20558
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 2.101→2.155 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.285	420	-
R_work	0.253	8427	-
obs	-	-	93.31 %

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	2.0347	0.0746	0.2161	2.0419	-1.1313	1.3732	0.0444	-0.1556	-0.0138	0.1312	0.0033	0.0156	-0.1623	-0.0052	-0.0477	0.1118	-0.0212	-0.0143	0.1061	-0.0321	0.0208	-0.1351	-12.0557	51.4842
2	0.5754	-0.0872	0.6673	0.2786	-0.1246	2	0.0219	0.0029	-0.071	-0.0316	0.0194	0.0128	0.1538	0.2114	-0.0413	0.0967	-0.025	-0.0126	0.1011	-0.0195	0.0427	-1.7041	-28.8263	48.1891
3	4.6605	-1.1711	0.9106	1.6454	-1.1406	3.3992	0.0305	0.3297	-0.2135	-0.153	0.0392	0.0324	0.1329	-0.0629	-0.0697	0.1212	-0.0468	-0.0223	0.0805	-0.0363	0.0386	-15.1916	-32.4219	29.796
4	1.9453	-0.5047	-0.9787	2.4492	1.2153	3.0272	0.0385	0.0223	-0.2265	-0.042	0.0601	-0.2261	-0.0157	0.0163	-0.0986	0.0533	-0.0262	0.0042	0.035	-0.024	0.0717	-0.9335	-22.6474	35.423
5	1.0039	0.2475	0.0904	1.0254	0.8452	2.0367	0.021	-0.0664	-0.2029	-0.0723	0.0272	0.0639	0.1142	0.0109	-0.0483	0.098	-0.0289	-0.0235	0.0558	0.0007	0.0747	-12.2455	-36.0912	46.2245
6	1.5054	0.0041	-0.4463	1.0684	-0.725	1.1143	-0.0085	0.0502	0.0815	0.0258	-0.0071	-0.0096	-0.0093	-0.0079	0.0156	0.0737	-0.0169	-0.0167	0.0581	-0.0235	0.0276	1.2198	-7.6138	29.0299
7	0.9874	-0.268	-0.4564	0.8396	0.2255	0.421	-0.0085	0.0131	0.1228	0.0006	-0.0506	-0.0933	-0.0702	0.0563	0.0591	0.1286	-0.0265	-0.0267	0.1001	0.0081	0.1227	4.1139	6.6313	31.8523
8	2.7038	-0.0328	-1.6079	1.6683	-1.0233	3.0807	0.0354	-0.2008	0.286	0.293	0.0326	-0.0016	-0.2409	-0.0716	-0.0679	0.2023	-0.0157	-0.0052	0.0955	-0.0837	0.0846	-1.7216	14.3762	51.6056
9	0.7834	-0.4093	-0.0542	1.13	0.0952	0.9363	0.0609	-0.0536	0.1981	0.118	-0.0238	-0.0333	-0.0687	-0.0519	-0.0371	0.109	-0.0252	-0.0119	0.0598	-0.0303	0.0912	1.4119	11.7297	37.8798
10	1.468	0.3763	-0.4298	1.2075	-0.5096	0.769	0.0163	0.0165	0.0422	0.0126	0.015	0.0598	-0.0251	0.0185	-0.0313	0.0697	-0.0146	-0.0127	0.0399	-0.0205	0.0225	1.6158	15.8148	-23.6707
11	0.9813	0.0567	-0.2226	0.5531	0.2241	0.5418	-0.0054	0.0676	0.0725	0.0023	0.011	0.0112	-0.0415	0.0414	-0.0056	0.0512	-0.0069	-0.0216	0.0202	-0.0059	0.0333	3.9434	29.5578	-19.5221
12	4.5245	-0.6042	-1.4594	1.0719	-0.8469	3.1938	-0.1001	-0.4036	0.1812	0.2792	0.0696	-0.1093	-0.1102	0.1314	0.0305	0.1959	-0.0021	-0.0156	0.0746	-0.0617	0.0662	-1.3619	34.1493	1.1475
13	1.6765	0.1038	1.7662	0.9561	-0.639	2.5068	-0.1433	0.0993	0.0884	-0.0296	0.0944	-0.0586	-0.1496	0.1183	0.0488	0.1915	0.0006	-0.0012	0.2013	-0.1021	0.2022	5.1485	19.683	-7.7998
14	1.4621	-0.2598	0.3103	0.788	0.0357	1.0802	0.0633	-0.0079	0.2499	0.1039	-0.0376	0.1038	-0.0702	-0.1286	-0.0257	0.1101	-0.0127	0.0046	0.0544	-0.009	0.1129	0.237	38.4053	-15.3823
15	0.5171	0.1275	-0.12	1.614	-0.1477	1.1389	0.0052	-0.0304	0.0032	0.0364	0.0362	-0.0152	0.0596	0.0635	-0.0414	0.0531	0.0026	-0.0082	0.0267	-0.0147	0.0093	1.022	4.2344	-3.516
16	0.5099	-0.133	0.1031	0.3843	0.0311	0.5512	-0.045	-0.0537	-0.0361	0.0281	0.0383	-0.0188	0.1209	0.0251	0.0067	0.0945	-0.0092	0.0006	0.0279	-0.0153	0.0496	-4.4321	-8.8202	-7.1761
17	3.8074	-1.8382	2.137	1.8535	-2.4284	3.5028	-0.0344	0.187	-0.277	-0.1037	0.0263	0.1051	0.1208	-0.0204	0.0081	0.092	-0.0479	-0.0148	0.0465	-0.0109	0.1012	-15.7511	-9.3024	-25.9495
18	0.0906	0.4562	-0.0599	2.4749	-0.4222	1.942	-0.0118	0.0253	-0.0622	-0.0586	0.0511	-0.1782	0.0076	0.065	-0.0393	0.1112	-0.0279	-0.0079	0.0967	-0.0598	0.148	-1.9281	-1.1124	-20.2461
19	1.2725	0.057	0.1169	0.5807	0.2289	1.4579	0.0541	-0.0426	-0.1176	-0.0519	0.0142	0.1212	0.0994	-0.0847	-0.0682	0.112	-0.0282	0.0184	0.0116	0.0031	0.0769	-12.735	-14.5048	-10.1279
20	1.9903	0.2567	0.6397	0.2526	0.0174	1.1704	-0.0667	0.1054	0.1018	-0.0302	0.0664	-0.056	-0.0936	0.0605	0.0003	0.0254	-0.0079	0.0006	0.0238	-0.0181	0.0357	34.3895	24.7845	-20.1825
21	1.1005	-0.3519	-0.1181	0.7144	0.1698	0.2595	-0.047	0.1829	-0.1464	-0.0309	-0.0151	0.0302	0.0508	-0.1052	0.0621	0.0642	-0.0135	0.0005	0.0868	-0.0538	0.0524	31.0948	11.8592	-27.4338
22	4.7835	-1.6633	0.306	1.2376	-1.1743	3.4182	-0.1352	0.0103	-0.594	0.1051	0.0053	0.3271	0.2465	0.0769	0.1299	0.1505	0.0065	0.0671	0.0104	0.0228	0.1964	37.4547	-6.7653	-17.7631
23	1.9213	-0.4886	-1.4329	1.0262	-0.047	2.2351	-0.0247	-0.1048	-0.2846	0.0685	-0.0669	-0.0673	0.0241	0.2064	0.0917	0.0698	-0.0078	-0.006	0.0448	0.0048	0.1023	35.8773	9.3881	-16.6705
24	1.1843	-1.4752	0.2333	2.1063	-0.5488	1.6538	0.0845	0.1991	-0.3706	-0.1242	-0.121	0.2572	0.1401	-0.0146	0.0365	0.1773	-0.0086	-0.0103	0.1702	-0.1287	0.2929	32.7853	0.7891	-32.4729
25	2.9778	0.2638	-0.4938	1.798	0.2611	2.6481	-0.0221	-0.1653	-0.0133	0.1462	0.0289	0.0214	0.2304	-0.0022	-0.0069	0.0312	0.0025	0.0036	0.0245	0.0092	0.0068	36.0036	12.834	-0.2316
26	1.4599	0.7418	-0.4033	1.1835	-0.5577	0.6876	0.1269	-0.2943	0.1522	0.2232	-0.0219	0.0941	-0.0253	-0.0014	-0.105	0.0955	-0.0294	0.0201	0.1221	-0.0474	0.0364	38.0231	28.0752	7.4581
27	4.654	-0.3446	-1.0588	1.3	-0.0715	3.699	0.0525	0.0355	0.6452	0.1625	-0.1433	-0.075	-0.2978	0.0226	0.0908	0.0851	-0.0291	0.0078	0.0604	-0.0455	0.1749	50.4666	44.0436	-3.0746
28	1.6273	0.5661	0.2151	1.3802	-0.1627	1.1512	0.1512	-0.4132	0.2253	0.1755	-0.1074	0.0572	-0.087	0.0071	-0.0438	0.1033	-0.0315	0.0294	0.1382	-0.089	0.0642	45.0945	34.0362	7.122
29	2.8802	-0.076	-0.7278	1.4301	0.8817	1.7924	0.0545	-0.2897	0.1062	0.1642	0.0087	0.1366	0.063	0.0486	-0.0632	0.0849	-0.0021	0.0198	0.1289	-0.0265	0.0344	34.8373	-5.1714	56.2419
30	1.6912	1.0675	-1.0054	1.5604	-1.0321	1.4229	0.1528	-0.2783	0.229	0.3305	-0.1026	0.1632	-0.1221	-0.0659	-0.0501	0.151	-0.037	0.0476	0.2116	-0.1243	0.0812	41.4654	8.2527	60.7906
31	5.4435	0.2661	-0.2334	2.1797	0.1635	2.1905	-0.0309	0.0349	0.5916	0.0402	-0.0458	0.1097	-0.1037	-0.0446	0.0767	0.0911	-0.0067	0.0185	0.0618	-0.0462	0.1121	50.7114	21.3972	47.0141
32	1.7555	-1.0186	2.4108	2.4335	-1.5057	4.5176	-0.0569	-0.2779	0.1969	0.2237	0.0229	0.2638	-0.1079	-0.2929	0.0341	0.0377	0.0025	0.0335	0.0998	-0.097	0.1517	36.5145	10.06	46.115
33	1.5589	1.3212	0.0537	1.9725	-0.3105	1.0111	0.2278	-0.2914	0.2259	0.2342	-0.1791	-0.0017	-0.1629	0.0208	-0.0486	0.2221	-0.0434	0.0601	0.2198	-0.1334	0.1276	48.4868	14.7614	62.6028
34	2.7708	-0.1721	1.0563	1.0037	0.6379	1.7189	-0.0102	-0.0352	0.1199	-0.001	0.0297	0.0608	-0.0618	-0.0014	-0.0195	0.0106	-0.0135	0.0052	0.0311	0.0055	0.0322	34.1893	1.4596	32.1157
35	0.8838	-0.4661	0.2021	1.0517	0.1568	0.2083	0.0294	0.1088	-0.0809	-0.0485	0.0489	-0.0021	0.0139	-0.013	-0.0783	0.072	-0.015	-0.0238	0.1537	-0.0125	0.0644	31.4221	-11.9045	26.3817
36	4.4659	-1.4653	-0.0395	1.9475	-1.1732	2.4566	0.0431	-0.196	-0.2941	0.0709	0.0346	0.1571	0.1015	-0.0128	-0.0777	0.1144	-0.0096	-0.0383	0.0593	-0.0206	0.0597	37.0565	-29.0471	38.7573
37	0.5712	0.3692	0.5455	1.7208	0.4529	0.9278	-0.0637	0.1153	-0.0437	-0.0569	0.1493	0.4017	0.0627	-0.0696	-0.0856	0.1194	-0.0318	0.0077	0.1532	0.0321	0.1965	30.2441	-12.8437	41.4904
38	0.8877	-0.5337	-0.3854	1.7426	-0.7612	1.2923	0.1323	0.116	-0.1991	-0.1761	-0.0898	-0.0216	0.1013	0.0526	-0.0425	0.1767	0.0022	-0.0501	0.1913	-0.0665	0.1807	35.269	-21.3633	23.5816

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	0 - 60
2	X-RAY DIFFRACTION	2	A	61 - 167
3	X-RAY DIFFRACTION	3	A	168 - 207
4	X-RAY DIFFRACTION	4	A	208 - 235
5	X-RAY DIFFRACTION	5	A	236 - 311
6	X-RAY DIFFRACTION	6	B	-1 - 89
7	X-RAY DIFFRACTION	7	B	90 - 167
8	X-RAY DIFFRACTION	8	B	168 - 204
9	X-RAY DIFFRACTION	9	B	205 - 311
10	X-RAY DIFFRACTION	10	C	-1 - 90
11	X-RAY DIFFRACTION	11	C	91 - 167
12	X-RAY DIFFRACTION	12	C	168 - 207
13	X-RAY DIFFRACTION	13	C	208 - 235
14	X-RAY DIFFRACTION	14	C	236 - 311
15	X-RAY DIFFRACTION	15	D	0 - 90
16	X-RAY DIFFRACTION	16	D	91 - 167
17	X-RAY DIFFRACTION	17	D	168 - 204
18	X-RAY DIFFRACTION	18	D	205 - 235
19	X-RAY DIFFRACTION	19	D	236 - 311
20	X-RAY DIFFRACTION	20	E	0 - 87
21	X-RAY DIFFRACTION	21	E	88 - 167
22	X-RAY DIFFRACTION	22	E	168 - 204
23	X-RAY DIFFRACTION	23	E	205 - 248
24	X-RAY DIFFRACTION	24	E	249 - 311
25	X-RAY DIFFRACTION	25	F	-2 - 60
26	X-RAY DIFFRACTION	26	F	61 - 172
27	X-RAY DIFFRACTION	27	F	173 - 205
28	X-RAY DIFFRACTION	28	F	206 - 311
29	X-RAY DIFFRACTION	29	G	-1 - 98
30	X-RAY DIFFRACTION	30	G	99 - 167
31	X-RAY DIFFRACTION	31	G	168 - 207
32	X-RAY DIFFRACTION	32	G	208 - 235
33	X-RAY DIFFRACTION	33	G	236 - 311
34	X-RAY DIFFRACTION	34	H	-1 - 89
35	X-RAY DIFFRACTION	35	H	90 - 167
36	X-RAY DIFFRACTION	36	H	168 - 206
37	X-RAY DIFFRACTION	37	H	207 - 235
38	X-RAY DIFFRACTION	38	H	236 - 311

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