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

(S)-malate dehydrogenase (NAD+, oxaloacetate-forming) / 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: Microbiol Resour Announc / Year: 2025
Title: Structural genomics of bacterial drug targets: Application of a high-throughput pipeline to solve 58 protein structures from pathogenic and related bacteria.
Authors: Inniss, N.L. / Minasov, G. / Chang, C. / Tan, K. / Kim, Y. / Maltseva, N. / Stogios, P. / Filippova, E. / Michalska, K. / Osipiuk, J. / Jaroszewki, L. / Godzik, A. / Savchenko, A. / ...

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
Revision 1.2	Feb 11, 2026	Group: Database references / Structure summary / Category: citation / citation_author / pdbx_entry_details Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6bal.cif.gz	924.1 KB	Display	PDBx/mmCIF format
PDB format	pdb6bal.ent.gz	770.6 KB	Display	PDB format
PDBx/mmJSON format	6bal.json.gz		Tree view	PDBx/mmJSON format
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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	5tr3C 5tv2C 5ty0C 5u1oC 5u2gC 5u47C 5ue1C 5umeC 5us8C 5uswC 5usxC 5utxC 5uu6C 5uwyC 5ux9C 5v36C 5vdnC 5vfbC 5vh6C 5wi5C 5wp0C 6aonC 6aooC 6awaC 6aziC 6b4oC 6b5fC 6b8dC 6bk7C 6blbC 6bq9C 6bz0C 6c8qC 6cmzC 6cn1C 6czpC 6e5yC 6muqC 6n0iC 6n7fC 6nfpC 6nkjC 6po4C 6pu9C 6puaC 6pxaC 6w2zC 9bznC 9bzqC 9bzrC 3hhpS C: citing same article (ref.) 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, (S)-malate dehydrogenase (NAD+, oxaloacetate-forming)
#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
Has protein modification	N

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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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