PDB-3u0g: Crystal structure of branched-chain amino acid aminotransferase f...

ID or keywords:

Entry

Database: PDB / ID: 3u0g

Title

Crystal structure of branched-chain amino acid aminotransferase from burkholderia pseudomallei

Components

Putative branched-chain amino acid aminotransferase IlvE

Keywords

TRANSFERASE / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / SSGCID / PyridoxaL 5'-Phosphate Dependent Enzymes class IV / branched chain amino transferase / PyridoxaL 5'-Phosphate

Function / homology

Function and homology information

branched-chain-amino-acid transaminase / L-leucine transaminase activity / L-valine transaminase activity / L-isoleucine transaminase activity / L-leucine biosynthetic process / valine biosynthetic process / isoleucine biosynthetic process
Similarity search - Function

Biological species

Burkholderia pseudomallei (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.9 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: TO BE PUBLISHED
Title: Crystal structure of branched-chain amino acid aminotransferase from burkholderia pseudomallei
Authors: Staker, B.L. / Gardberg, A. / Sankaran, B. / Seattle Structural Genomics Center for Infectious Disease

History

Deposition	Sep 28, 2011	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 9, 2011	Provider: repository / Type: Initial release
Revision 1.1	Sep 13, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / 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	3u0g.cif.gz	711.7 KB	Display	PDBx/mmCIF format
PDB format	pdb3u0g.ent.gz	595 KB	Display	PDB format
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Validation report

Summary document	3u0g_validation.pdf.gz	515.9 KB	Display	wwPDB validaton report
Full document	3u0g_full_validation.pdf.gz	536.2 KB	Display
Data in XML	3u0g_validation.xml.gz	70.5 KB	Display
Data in CIF	3u0g_validation.cif.gz	98.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/u0/3u0g ftp://data.pdbj.org/pub/pdb/validation_reports/u0/3u0g	HTTPS FTP

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Related structure data

Related structure data	1wrvS S: Starting model for refinement
Similar structure data	2ej0-d 1wrv-2 5ce8-1 2ej2-d 6nst-d 2eiy-1 2ej3-1 4whx-d 5mr0-d 4gnz-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) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetDB: BupsA.10478.a

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#228 - Dec 2018 Directed Evolution of Enzymes similarity (5)

Deposited unit

A: Putative branched-chain amino acid aminotransferase IlvE

B: Putative branched-chain amino acid aminotransferase IlvE

C: Putative branched-chain amino acid aminotransferase IlvE

D: Putative branched-chain amino acid aminotransferase IlvE

E: Putative branched-chain amino acid aminotransferase IlvE

F: Putative branched-chain amino acid aminotransferase IlvE

hetero molecules

219 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by software

2

A: Putative branched-chain amino acid aminotransferase IlvE

B: Putative branched-chain amino acid aminotransferase IlvE

hetero molecules

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

3

C: Putative branched-chain amino acid aminotransferase IlvE

D: Putative branched-chain amino acid aminotransferase IlvE

hetero molecules

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

4

E: Putative branched-chain amino acid aminotransferase IlvE

F: Putative branched-chain amino acid aminotransferase IlvE

hetero molecules

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

Unit cell

Length a, b, c (Å)	106.970, 139.270, 290.860
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	20
Space group name H-M	C222₁

Components on special symmetry positions

ID	Model	Components
1	1	A-332- HOH
2	1	A-602- HOH

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
1	2	B
1	3	C
1	4	D
1	5	E
1	6	F

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Refine code	Auth asym-ID	Auth seq-ID
1	1	1	5	A	0 - 999
1	1	2	5	B	0 - 999
1	1	3	5	C	0 - 999
1	1	4	5	D	0 - 999
1	1	5	5	E	0 - 999
1	1	6	5	F	0 - 999

NCS ensembles :

ID
1
2
3
4
5
6

#1: Protein	Putative branched-chain amino acid aminotransferase IlvE Mass: 36321.105 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Burkholderia pseudomallei (bacteria) / Strain: 1710B / Gene: ilvE, BPSL0793 / Plasmid: AVA0421 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: Q63WU8, UniProt: Q3JVJ9*PLUS, branched-chain-amino-acid transaminase
#2: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: PO₄
#3: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Cl
#4: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₃H₈O₃
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 672 / 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: 2.49 Å³/Da / Density % sol: 50.51 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 9.5 Details: 20% PEG 8000, 100MM CHES, PROTEIN CONCENTRATION 23.1 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K, pH 9.50

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

ALS

/ Beamline: 5.0.3 / Wavelength: 1 / Wavelength: 0.9765 Å

Detector

Type: ADSC QUANTUM 315r / Detector: CCD / Date: Dec 19, 2009

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	1	1
2	0.9765	1

Reflection

Resolution: 1.9→20 Å / Num. obs: 126128 / % possible obs: 99.8 % / Observed criterion σ(I): -3 / R_merge(I) obs: 0.076

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Processing

Software

Name	Version	Classification
BOS		data collection
PHASER		phasing
REFMAC	5.6.0117	refinement
XDS		data reduction
XSCALE		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1WRV

1wrv

Resolution: 1.9→20 Å / Cor.coef. F_o:F_c: 0.961 / Cor.coef. F_o:F_c free: 0.942 / SU B: 8.373 / SU ML: 0.118 / Cross valid method: THROUGHOUT / ESU R: 0.14 / ESU R Free: 0.134 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.22964	8508	5 %	RANDOM
R_work	0.19173	-	-	-
obs	0.1936	126128	99.69 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 32.994 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.56 Å²	0 Å²	0 Å²
2-	-	3.6 Å²	0 Å²
3-	-	-	-3.04 Å²

Refinement step

Cycle: LAST / Resolution: 1.9→20 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13866	0	54	672	14592

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.015	0.019	14234
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	9459
X-RAY DIFFRACTION	r_angle_refined_deg	1.762	1.937	19296
X-RAY DIFFRACTION	r_angle_other_deg	0.999	3	22918
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.56	5	1793
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.663	23.437	643
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.509	15	2333
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	15.722	15	108
X-RAY DIFFRACTION	r_chiral_restr	0.099	0.2	2166
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.02	16018
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	3070
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
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it
X-RAY DIFFRACTION	r_scbond_it
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Dom-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Ens-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	A	1692	medium positional	0.16	0.5
2	B	1692	medium positional	0.16	0.5
3	C	1692	medium positional	0.19	0.5
4	D	1692	medium positional	0.17	0.5
5	E	1692	medium positional	0.19	0.5
6	F	1692	medium positional	0.22	0.5
1	A	1946	loose positional	0.34	5
2	B	1946	loose positional	0.32	5
3	C	1946	loose positional	0.32	5
4	D	1946	loose positional	0.37	5
5	E	1946	loose positional	0.37	5
6	F	1946	loose positional	0.37	5
1	A	1692	medium thermal	2.2	2
2	B	1692	medium thermal	2.77	2
3	C	1692	medium thermal	2.97	2
4	D	1692	medium thermal	3.24	2
5	E	1692	medium thermal	3.6	2
6	F	1692	medium thermal	4.96	2
1	A	1946	loose thermal	2.53	10
2	B	1946	loose thermal	2.88	10
3	C	1946	loose thermal	3.06	10
4	D	1946	loose thermal	3.37	10
5	E	1946	loose thermal	3.8	10
6	F	1946	loose thermal	5.56	10

LS refinement shell

Resolution: 1.9→1.949 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.332	604	-
R_work	0.32	11336	-
obs	-	-	99.79 %

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	3.1041	0.2729	-0.6974	2.0135	1.4475	7.364	0.1542	-0.0311	-0.2465	-0.1062	-0.1581	0.0022	0.279	-0.1784	0.0038	0.0478	-0.0069	-0.0475	0.3568	0.0036	0.1699	2.6264	10.4652	80.0197
2	1.5126	0.2571	0.3427	1.4611	-0.0722	1.9893	0.1115	-0.1033	-0.1685	0.0223	-0.0414	0.1211	0.2331	-0.6036	-0.0701	0.0339	-0.0638	-0.0166	0.2792	0.0139	0.1356	6.0609	10.062	93.2852
3	2.9707	1.5942	0.1104	5.4271	0.4515	3.7974	0.1231	0.0172	-0.0009	0.0461	0.0379	-0.2965	-0.044	-0.398	-0.1611	0.013	0.0119	-0.0251	0.276	0.0084	0.1348	10.3067	15.7536	88.153
4	0.7494	-0.5831	0.147	0.4627	-0.032	1.5384	0.0786	0.0391	-0.1363	-0.0284	-0.0474	0.087	0.3193	-0.2998	-0.0312	0.163	-0.0612	-0.0214	0.0922	0.0159	0.1976	28.1123	5.3795	96.3614
5	5.0124	0.5951	-1.5209	2.1133	-1.0056	1.8176	0.1327	-0.3475	0.1086	0.0622	0.0182	-0.0879	0.3479	-0.2334	-0.1509	0.2268	-0.1546	-0.0495	0.1304	0.0339	0.235	21.4665	-1.8587	108.3632
6	3.5857	0.241	0.3882	0.2655	-0.4119	2.1259	0.1564	-0.0512	-0.3838	-0.0343	-0.0092	0.0636	0.5984	-0.3135	-0.1472	0.3278	-0.165	-0.0412	0.0959	0.0288	0.2917	20.5784	-7.9879	103.8232
7	6.3231	-0.7854	-1.1222	3.1754	-1.0607	4.0869	-0.0728	0.3716	0.1872	-0.0747	0.0074	0.3141	-0.3456	-0.478	0.0653	0.0814	0.1016	-0.0455	0.2949	0.0535	0.1142	12.9062	27.7486	71.9525
8	1.601	-0.2127	0.6092	1.1943	-0.3601	2.014	-0.0066	0.3396	0.1942	-0.0694	-0.1221	-0.0554	-0.3115	0.0767	0.1287	0.1007	0.0193	-0.0155	0.1563	0.0502	0.1178	26.2634	28.0114	76.5563
9	1.1487	0.2969	0.8369	2.8293	0.7645	2.6838	0.0556	0.1401	-0.0499	-0.0342	-0.0988	0.2156	0.0304	-0.2148	0.0432	0.0125	0.0355	0.0127	0.211	0.0323	0.1334	20.5152	21.005	81.3886
10	0.4626	-0.2412	0.1502	0.2369	0.3622	2.5485	-0.0137	0.1157	0.0701	-0.03	-0.0762	-0.025	-0.3536	-0.2138	0.0899	0.1826	-0.0051	-0.0163	0.1067	0.0253	0.1894	27.5751	28.4204	99.2793
11	0.7803	-0.4585	-0.1985	2.1481	-0.401	5.5803	-0.122	0.1886	0.2094	0.0648	-0.1586	-0.0538	-0.3449	0.5835	0.2806	0.243	-0.1417	-0.0748	0.1588	0.1261	0.235	41.29	38.3409	93.3487
12	1.6187	-0.4009	0.138	0.7966	-0.8764	5.0506	-0.1374	0.2166	0.3294	0.1082	-0.0425	-0.1324	-0.8862	0.112	0.1799	0.4024	-0.1332	-0.0746	0.0729	0.0733	0.2903	35.4637	43.6692	93.6579
13	6.9424	0.8951	-0.5123	5.0678	-2.5898	1.3739	0.0743	-0.6398	-0.1226	-0.3638	-0.5004	-0.7652	0.3675	0.3907	0.4261	0.7064	0.4866	0.093	0.499	0.1515	0.4983	64.8895	-20.4635	115.8456
14	1.0305	0.2985	-0.3066	1.2256	-0.353	2.5445	-0.0081	-0.0145	-0.2397	-0.0298	-0.0117	-0.0851	0.7063	0.3562	0.0199	0.3066	0.1727	0.0072	0.1208	0.0432	0.1616	51.9007	-16.2236	114.9298
15	1.881	0.9125	-1.0382	2.5305	0.0833	4.7596	-0.1051	0.1546	-0.0914	-0.2865	0.0422	-0.2161	0.5507	0.7564	0.0629	0.1982	0.1851	0.0256	0.2523	0.0138	0.2584	57.6229	-11.6571	109.0822
16	1.4274	0.0953	0.3422	0.4914	0.3681	2.5149	-0.0437	-0.0237	-0.0966	0.1114	0.0311	0.0038	0.222	0.5251	0.0127	0.1259	0.0197	-0.0031	0.1344	0.0414	0.1245	48.5935	5.6436	120.6896
17	0.6718	0.2545	0.7922	4.1592	-1.1719	3.9115	0.0553	-0.0143	0.083	-0.1975	0.0895	0.3503	0.0876	0.0599	-0.1449	0.1698	-0.0173	0.0179	0.063	0.0767	0.1573	35.4656	-1.6451	126.2182
18	0.132	0.4347	0.1493	3.1992	-0.4606	0.9482	0.0211	-0.0176	0.006	0.166	0.0286	0.0871	0.1699	0.0146	-0.0497	0.2261	0.0112	0.0253	0.1113	0.0432	0.1258	39.2923	-3.121	132.7475
19	0.5323	0.3128	-0.9527	0.894	-0.6946	3.4234	-0.1437	0.0181	-0.254	-0.1069	-0.0246	-0.2981	0.3109	0.5848	0.1683	0.1671	0.1487	0.0673	0.6267	0.022	0.2776	71.8847	-1.5347	100.4057
20	0.9306	0.4721	-0.6851	1.5022	0.917	4.3912	-0.0888	-0.1204	-0.2292	-0.1966	0.1069	-0.2919	-0.0419	0.8247	-0.0182	0.0406	0.0665	0.0362	0.5973	0.0289	0.1571	73.2814	5.6863	103.8257
21	1.6473	-0.5534	0.1017	2.1286	-0.005	0.0204	0.0892	0.079	-0.1899	0.111	-0.0713	-0.2466	0.0615	0.0479	-0.018	0.2338	0.146	0.0312	0.6799	0.0486	0.3193	66.3671	-0.0657	105.2368
22	0.8674	-0.0707	0.1705	0.8011	-0.1727	2.1674	0.0495	0.161	-0.0384	-0.0232	-0.0701	-0.064	0.2049	0.4792	0.0206	0.0507	0.0357	0.0084	0.1877	0.0158	0.0995	49.2556	7.7306	97.3513
23	8.0293	-0.0125	-1.4177	0.0006	0.0093	4.5861	0.3174	-0.5953	0.5992	0.0039	-0.0076	0.0065	-0.3064	0.2181	-0.3098	0.2099	-0.1073	0.1111	0.3447	0.0058	0.2142	57.2239	22.2272	91.2976
24	4.4505	0.2256	-0.9925	0.1683	0.0873	0.5481	0.1272	0.206	0.138	-0.07	-0.0059	-0.0194	-0.1264	0.2197	-0.1213	0.1542	-0.0219	0.0332	0.4463	0.0115	0.1407	57.0363	16.8937	85.0909
25	1.0072	0.5417	0.0193	0.9445	-1.1188	4.2824	-0.1729	-0.1762	0.176	0.4523	0.0805	0.0168	-1.4498	-0.9389	0.0924	0.6464	0.2563	-0.0248	0.3775	-0.0591	0.1422	28.2988	34.3784	143.1757
26	2.863	-0.3503	0.5737	0.8671	0.1332	5.8069	-0.173	-0.358	0.043	0.2077	-0.0369	0.0703	-0.6767	-0.7676	0.2099	0.2731	0.0871	0.0046	0.2336	-0.0343	0.0856	29.956	26.2733	144.6089
27	0.7536	1.3076	0.9214	2.4933	1.131	6.8871	-0.135	-0.1045	0.1344	0.2448	-0.2796	0.0802	-1.5126	-0.7332	0.4146	0.7698	0.1577	-0.1679	0.3881	0.0111	0.2199	30.4162	32.6978	138.1994
28	1.1764	-0.4304	1.1898	0.7916	-0.0871	2.6456	-0.1086	-0.21	0.0921	0.1726	-0.0142	0.0216	-0.3235	-0.5669	0.1227	0.1585	0.032	0.0158	0.171	0.0049	0.1163	25.2504	26.6999	120.2816
29	6.286	-0.0215	0.7429	0.0486	0.6884	10.1598	-0.2165	-0.353	-0.3719	0.0453	-0.0187	0.0264	0.6995	-0.7104	0.2352	0.1891	-0.1576	0.085	0.3816	0.0792	0.188	17.7914	12.0498	126.0312
30	2.2588	-0.0937	0.8338	0.6308	-0.2186	4.431	-0.0113	-0.738	-0.222	0.1166	0.0186	0.1229	0.1682	-1.3584	-0.0073	0.0657	-0.0774	0.0609	0.6124	0.0678	0.1173	12.0384	17.5854	125.6272
31	1.5431	2.8681	-1.8127	7.4405	-2.1834	2.9131	0.6126	-0.3729	-0.0583	0.8533	-0.582	-0.3035	-1.3156	0.6255	-0.0306	1.4895	-0.2521	-0.303	0.4808	-0.0442	0.4279	43.655	51.4706	139.701
32	1.199	0.1341	-0.4052	1.3428	-0.8006	2.2234	-0.2542	-0.1806	0.2867	0.3703	-0.0553	-0.2273	-1.2578	0.2101	0.3096	1.0063	-0.134	-0.254	0.1225	-0.0177	0.3528	44.2612	48.5042	125.853
33	0.0208	-0.0839	-0.063	0.3478	0.3193	4.6398	-0.107	-0.0423	-0.0349	0.2457	0.0882	0.1505	-1.265	0.1124	0.0188	0.9576	-0.0171	-0.1349	0.2246	0.0543	0.4448	43.4506	43.1404	131.3781
34	1.4924	-0.4776	0.6372	0.4602	0.0995	1.8585	-0.1359	-0.0617	0.1654	0.0986	0.0172	-0.0341	-0.402	0.4714	0.1187	0.225	-0.1371	-0.0351	0.2035	0.0275	0.1647	49.5868	26.9871	121.7802
35	1.1147	1.1637	0.2302	3.6524	0.2447	3.2317	-0.3926	0.4934	0.087	-0.3655	0.2419	0.2089	-0.5099	0.6452	0.1507	0.356	-0.3714	-0.0791	0.4377	0.104	0.1833	56.5413	34.3432	109.6416
36	1.196	0.4627	0.3071	2.5229	0.533	2.0443	-0.2445	0.2797	0.2475	-0.1488	0.172	-0.1372	-0.736	1.0025	0.0725	0.3074	-0.3853	-0.0651	0.5154	0.0848	0.1674	62.6617	35.0375	114.2366

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 22
2	X-RAY DIFFRACTION	2	A	23 - 106
3	X-RAY DIFFRACTION	3	A	107 - 133
4	X-RAY DIFFRACTION	4	A	134 - 199
5	X-RAY DIFFRACTION	5	A	200 - 229
6	X-RAY DIFFRACTION	6	A	230 - 307
7	X-RAY DIFFRACTION	7	B	2 - 24
8	X-RAY DIFFRACTION	8	B	25 - 106
9	X-RAY DIFFRACTION	9	B	107 - 142
10	X-RAY DIFFRACTION	10	B	143 - 201
11	X-RAY DIFFRACTION	11	B	202 - 234
12	X-RAY DIFFRACTION	12	B	235 - 307
13	X-RAY DIFFRACTION	13	C	2 - 22
14	X-RAY DIFFRACTION	14	C	23 - 106
15	X-RAY DIFFRACTION	15	C	107 - 137
16	X-RAY DIFFRACTION	16	C	138 - 201
17	X-RAY DIFFRACTION	17	C	202 - 229
18	X-RAY DIFFRACTION	18	C	230 - 307
19	X-RAY DIFFRACTION	19	D	2 - 57
20	X-RAY DIFFRACTION	20	D	58 - 108
21	X-RAY DIFFRACTION	21	D	109 - 140
22	X-RAY DIFFRACTION	22	D	141 - 202
23	X-RAY DIFFRACTION	23	D	203 - 234
24	X-RAY DIFFRACTION	24	D	235 - 307
25	X-RAY DIFFRACTION	25	E	2 - 57
26	X-RAY DIFFRACTION	26	E	58 - 108
27	X-RAY DIFFRACTION	27	E	109 - 137
28	X-RAY DIFFRACTION	28	E	138 - 201
29	X-RAY DIFFRACTION	29	E	202 - 234
30	X-RAY DIFFRACTION	30	E	235 - 306
31	X-RAY DIFFRACTION	31	F	2 - 24
32	X-RAY DIFFRACTION	32	F	25 - 106
33	X-RAY DIFFRACTION	33	F	107 - 136
34	X-RAY DIFFRACTION	34	F	137 - 201
35	X-RAY DIFFRACTION	35	F	202 - 229
36	X-RAY DIFFRACTION	36	F	230 - 306

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