PDB-4egf: Crystal structure of a L-xylulose reductase from Mycobacterium sm...

ID or keywords:

Entry

Database: PDB / ID: 4egf

Title

Crystal structure of a L-xylulose reductase from Mycobacterium smegmatis

Components

L-xylulose reductase

Keywords

OXIDOREDUCTASE /

Structural Genomics / SSGCID / Seattle Structural Genomics Center for Infectious Disease

Function / homology

Function and homology information

L-xylulose reductase (NADH) activity /

L-xylulose reductase / L-xylulose reductase (NADPH) activity
Similarity search - Function

Biological species

Mycobacterium smegmatis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.3 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID) / Arakaki, T.L. / Staker, B.L. / Fairman, J.W.

Citation

Journal: Tuberculosis (Edinb) / Year: 2015
Title: Increasing the structural coverage of tuberculosis drug targets.
Authors: Baugh, L. / Phan, I. / Begley, D.W. / Clifton, M.C. / Armour, B. / Dranow, D.M. / Taylor, B.M. / Muruthi, M.M. / Abendroth, J. / Fairman, J.W. / Fox, D. / Dieterich, S.H. / Staker, B.L. / ...

History

Deposition	Mar 30, 2012	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 2, 2012	Provider: repository / Type: Initial release
Revision 1.1	Apr 22, 2015	Group: Database references
Revision 1.2	Feb 17, 2016	Group: Structure summary
Revision 1.3	Feb 28, 2024	Group: Data collection / Database references Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ref_seq_dif Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4egf.cif.gz	713.8 KB	Display	PDBx/mmCIF format
PDB format	pdb4egf.ent.gz	595.4 KB	Display	PDB format
PDBx/mmJSON format	4egf.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/eg/4egf ftp://data.pdbj.org/pub/pdb/validation_reports/eg/4egf	HTTPS FTP

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Related structure data

Related structure data	3gvcC 3gvgC 3gwcC 3h7fC 3h81C 3he2C 3hwiC 3hwkC 3hzgC 3icoC 3khpC 3llsC 3moyC 3mpzC 3mybC 3ndnC 3ndoC 3nf4C 3ng3C 3njdC 3nwoC 3o0mC 3o38C 3oc6C 3oc7C 3oi9C 3oksC 3omeC 3p0tC 3p2yC 3p4iC 3p4tC 3p5mC 3p85C 3pe8C 3pk0C 3ppiC 3pzyC 3q1tC 3q8nC 3qbpC 3qdfC 3qhaC 3qivC 3qk8C 3qkaC 3qljC 3qmjC 3qreC 3quaC 3quvC 3qxiC 3qxzC 3qyrC 3r0oC 3r1iC 3r1jC 3r20C 3r2nC 3r4tC 3r6hC 3r6oC 3r7kC 3r8cC 3r9pC 3r9qC 3r9rC 3r9sC 3r9tC 3rd5C 3rd7C 3rd8C 3rfqC 3rihC 3rr2C 3rr6C 3rrpC 3rrvC 3rsiC 3rv2C 3s82C 3sbxC 3sf6C 3sllC 3svkC 3svtC 3swoC 3swtC 3swxC 3t3wC 3tavC 3tcrC 3tdeC 3tjrC 3tl3C 3tlfC 3trrC 3tx2C 3tzqC 3tzuC 3u0aC 3u0bC 3ucxC 3uveC 4di1C 4dieC 4dq8C 4dxlC 4ed4C 4egeC 4emdC 4eo9C 4eyeC 4f3wC 4f47C 4ffcC 4gk6C 4hdtC 4hr3C 4i1yC 4ijnC 4iv6C 4iz9C 4j5iC 4kamC 4lgvC 4o2dC C: citing same article (ref.)
Similar structure data	5fff-1 4w7i-2 6y4d-1 5trt-d 5ff9-d 4w7i-1 6f9q-d 5mtr-1 5i7f-2 1nff-1 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: SSGCID-MysmA.01365.g

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#90 - Jun 2007 Fatty Acid Synthase similarity (1) #77 - May 2006 Glucose Oxidase similarity (1)

Deposited unit

A: L-xylulose reductase

B: L-xylulose reductase

C: L-xylulose reductase

D: L-xylulose reductase

E: L-xylulose reductase

F: L-xylulose reductase

G: L-xylulose reductase

H: L-xylulose reductase

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

1

A: L-xylulose reductase

B: L-xylulose reductase

C: L-xylulose reductase

D: L-xylulose reductase

defined by author&software
109 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

E: L-xylulose reductase

F: L-xylulose reductase

G: L-xylulose reductase

H: L-xylulose reductase

defined by author&software
109 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	73.800, 130.750, 114.970
Angle α, β, γ (deg.)	90.000, 103.740, 90.000
Int Tables number	4
Space group name H-M	P12₁1

Details

tetramer

#1: Protein	L-xylulose reductase / Mass: 27166.949 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium smegmatis (bacteria) / Strain: MC2 155 / Gene: MSMEG_3262 / Plasmid: AVA0421 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: A0QXD6, L-xylulose reductase
#2: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 846 / Source method: isolated from a natural source / Formula: H₂O

#1: Protein

L-xylulose reductase /

Mass: 27166.949 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Mycobacterium smegmatis (bacteria) / Strain: MC2 155 / Gene: MSMEG_3262 / Plasmid: AVA0421 / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: A0QXD6,

L-xylulose reductase

#2: Water

ChemComp-HOH / water /

Water

Mass: 18.015 Da / Num. of mol.: 846 / 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: 2.5 Å³/Da / Density % sol: 51 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8.7 Details: 18% PEG 6000, 200 mM calcium chloride, PW 28826, MysmA.01365.g.A1.PW28826, pH 8.7, vapor diffusion, sitting drop, temperature 293K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

ALS

/ Beamline: 5.0.1 / Wavelength: 0.9774 Å

Detector

Type: ADSC QUANTUM 4 / Detector: CCD / Date: Feb 10, 2011

Radiation

Protocol: SINGLE WAVELENGTH / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.9774 Å / Relative weight: 1

Reflection

Highest resolution: 2.3 Å / Num. obs: 93608 / % possible obs: 99.6 % / Observed criterion σ(I): -3 / B_iso Wilson estimate: 32.038 Å² / R_merge(I) obs: 0.102 / Net I/σ(I): 11.6

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Highest resolution (Å)	R_merge(I) obs	Mean I/σ(I) obs	Num. measured obs	Num. unique obs	% possible all
2.3-2.36		0.461	2.8	26198	6931	99.9
2.36-2.42		0.397	3.2	25546	6741	99.9
2.42-2.49		0.345	3.6	24856	6556	99.9
2.49-2.57		0.318	4	23982	6358	99.6
2.57-2.66		0.299	4.3	23451	6191	99.9
2.66-2.75		0.261	5.1	22406	5957	99.6
2.75-2.85		0.214	5.8	21984	5797	99.8
2.85-2.97		0.166	7.5	21046	5543	99.9
2.97-3.1		0.138	9.1	20300	5340	99.8
3.1-3.25		0.118	10.4	19043	5051	99.7
3.25-3.43		0.087	13.5	18357	4857	99.9
3.43-3.64		0.068	17.2	17012	4580	99.5
3.64-3.89		0.057	20.6	15722	4293	98.9
3.89-4.2		0.05	22.7	14803	3992	99.4
4.2-4.6		0.042	26.5	13928	3701	99.8
4.6-5.14		0.041	26.8	12485	3346	100
5.14-5.94		0.048	23.5	10844	2963	99.7
5.94-7.27		0.04	26.4	9482	2522	99.9
7.27-10.29		0.023	40.5	7443	1955	99.6
	10.29	0.022	39.9	3494	934	84.8

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Phasing

Phasing

Method:

molecular replacement

Phasing MR

Model details: Phaser MODE: MR_AUTO

	Highest resolution	Lowest resolution
Rotation	3.5 Å	19.88 Å
Translation	3.5 Å	19.88 Å

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHASER		phasing
REFMAC		refinement
PDB_EXTRACT	3.004	data extraction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.3→19.88 Å / Cor.coef. F_o:F_c: 0.949 / Cor.coef. F_o:F_c free: 0.907 / SU B: 13.544 / SU ML: 0.18 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.326 / ESU R Free: 0.24 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.247	4693	5 %	RANDOM
R_work	0.187	-	-	-
obs	0.19	93608	99.59 %	-

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: 25.476 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	5.48 Å²	0 Å²	1.88 Å²
2-	-	-1.88 Å²	0 Å²
3-	-	-	-2.7 Å²

Refinement step

Cycle: LAST / Resolution: 2.3→19.88 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	14426	0	0	846	15272

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.014	0.019	14695
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	9367
X-RAY DIFFRACTION	r_angle_refined_deg	1.447	1.968	20094
X-RAY DIFFRACTION	r_angle_other_deg	0.96	3	22902
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.535	5	2050
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	36.329	22.738	493
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.218	15	2059
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	15.686	15	115
X-RAY DIFFRACTION	r_chiral_restr	0.075	0.2	2432
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.021	16958
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	2897

LS refinement shell

Resolution: 2.3→2.359 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.329	351	-
R_work	0.264	6367	-
all	-	6718	-
obs	-	-	99.84 %

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	1.2591	0.4014	-1.1768	0.9459	-0.9909	2.176	0.1909	-0.0826	0.1351	0.3069	-0.0304	0.1653	-0.4469	0.1295	-0.1605	0.3234	0.0139	0.0525	0.2116	-0.0448	0.2756	-17.9324	12.9423	43.6531
2	0.9852	-0.9726	2.569	6.2498	1.3356	9.5627	-0.1475	-0.0398	0.0869	0.5638	-0.1092	0.1247	-0.0173	-0.1529	0.2567	0.4432	0.0175	0.1901	0.1978	-0.1143	0.2981	-18.6209	20.173	50.4556
3	0.8869	0.6625	-0.8344	2.2266	-1.3543	1.2628	0.1159	0.0287	0.0604	0.1383	0.0654	0.0625	0.0281	-0.1313	-0.1813	0.3097	-0.0105	0.0334	0.2647	0.0119	0.2714	-26.5275	4.138	48.3145
4	0.1903	0.0591	-0.199	0.774	0.0084	0.2455	0.0314	0.0597	0.0135	0.2875	-0.0577	0.182	-0.0372	0.0106	0.0263	0.2874	-0.0281	0.0304	0.2701	-0.0043	0.268	-14.837	-5.2154	42.7837
5	1.2025	0.1168	0.2423	0.4126	0.2172	0.5332	0.0432	0.0696	0.0053	0.1143	-0.0149	0.0144	0.012	0.0557	-0.0282	0.2923	-0.0111	-0.0172	0.2662	0.0045	0.2441	-3.5759	2.6147	36.6027
6	1.7561	0.6131	-0.7545	0.7128	0.3363	1.9151	-0.0904	-0.0403	-0.0234	0.0138	-0.0047	0.0051	0.2284	0.2809	0.095	0.2527	0.0278	0.008	0.2785	-0.0196	0.2645	7.5807	-36.1489	14.2192
7	2.4454	0.1278	-0.9963	7.0626	-3.8018	4.0671	0.0326	0.398	-0.1981	-0.041	-0.1569	-0.2339	0.1911	0.5461	0.1243	0.2314	0.036	0.0303	0.3045	-0.0372	0.2036	11.4476	-35.8961	6.9265
8	0.1807	0.0872	-0.1743	1.094	0.1701	0.3361	-0.0165	0.0267	-0.0218	-0.1046	-0.0037	-0.0938	-0.0105	-0.0323	0.0202	0.2357	0.0015	-0.0078	0.2881	-0.0128	0.2591	2.7338	-19.6716	12.6162
9	4.3455	-2.9421	-7.7898	7.9747	4.3306	14.2171	0.3925	-0.27	0.5934	-0.263	0.4528	-1.1166	-0.844	0.5965	-0.8454	0.1888	-0.1137	-0.1077	0.4572	0.0336	0.3406	17.807	-17.452	30.7646
10	0.6768	-0.258	0.2143	0.8067	0.2703	0.2535	0.0355	-0.0291	0.0218	0.0656	-0.0378	-0.0504	0.0935	-0.0076	0.0023	0.2581	-0.0077	-0.0022	0.2899	0.0035	0.2672	1.2646	-26.1065	27.4885
11	2.4161	-0.8523	-1.5871	1.475	1.1905	2.0783	-0.1106	0.0508	-0.1689	0.0484	0.0997	0.1409	0.2927	-0.0059	0.0109	0.3748	-0.0184	0.0328	0.1971	0.0256	0.2239	-9.5749	-40.2538	38.3053
12	3.0888	-0.0638	3.1738	0.027	-0.5681	13.5201	-1.0003	-1.0063	-0.8448	-0.012	0.1556	-0.063	-0.6747	-1.6512	0.8447	0.5587	0.1916	0.3834	0.4896	0.1655	0.4879	-21.2343	-42.318	47.5676
13	2.5467	0.2974	-2.2479	3.1929	3.4939	6.4705	-0.057	0.2395	0.0408	0.2351	-0.1157	0.2482	0.3366	-0.4208	0.1727	0.4436	-0.0421	0.0842	0.1483	0.1547	0.3647	-15.8196	-40.6549	48.4099
14	0.2956	-0.5199	-0.1301	1.3358	-0.1035	0.4238	-0.0488	0.0386	-0.067	0.2403	-0.0149	0.1855	0.0341	0.0253	0.0637	0.3384	-0.03	0.0536	0.2333	0.0068	0.2418	-13.3726	-22.9522	43.1278
15	1.2127	0.1077	-0.1473	0.731	-0.3346	1.38	-0.0231	0.1084	0.0064	0.1626	0.0439	0.2398	0.0601	-0.1883	-0.0208	0.2515	-0.0184	0.0366	0.2577	-0.0055	0.303	-16.0252	-27.4806	26.8347
16	1.2236	-0.0071	-1.3441	1.2093	1.1563	3.7817	0.1195	0.1052	0.1443	0.0202	-0.0039	0.0439	-0.199	-0.1896	-0.1156	0.2891	0.0254	-0.0089	0.2474	0.0536	0.2516	-5.2358	16.8176	16.8078
17	1.8015	0.1854	-1.593	0.9444	-2.1637	5.7599	0.2877	0.1308	0.0857	-0.135	0.0382	0.1053	-0.0117	-0.1865	-0.3259	0.4854	-0.0612	-0.0015	0.1383	0.0785	0.2285	-0.9439	17.3985	4.6603
18	0.0803	0.0699	-0.0122	1.3007	0.2311	0.3298	0.0313	0.0046	0.0373	-0.1397	-0.0094	-0.0513	-0.0657	-0.0033	-0.0219	0.2492	-0.0007	-0.0078	0.2934	0.0128	0.2485	0.7703	0.1308	13.8356
19	13.9327	5.1002	-9.0608	11.8468	-4.4391	6.0205	-1.5861	1.8401	-1.2712	-2.3384	0.8727	0.569	1.2185	-1.1979	0.7134	0.5813	-0.3473	-0.0575	0.5449	-0.1287	0.2277	-22.0348	-3.5002	9.1737
20	1.5399	0.1689	-0.108	0.6556	0.3088	0.8513	0.0437	0.0642	0.0255	-0.1382	-0.043	-0.0178	-0.0451	-0.1475	-0.0007	0.228	0.0231	-0.0185	0.2913	0.0201	0.2613	-12.2882	3.6563	23.2021
21	2.0711	0.1549	0.1313	0.9687	0.9594	1.0318	0.0517	0.0034	-0.0745	0.0254	-0.077	0.0483	0.1677	-0.1584	0.0253	0.3154	-0.0506	0.0042	0.2482	0.0193	0.2276	4.059	-32.2237	96.8014
22	2.0547	-0.1601	-1.8135	1.221	1.3442	2.8234	0.1223	0.0616	0.0731	0.0992	-0.2136	0.1421	0.023	-0.1854	0.0913	0.3128	-0.0217	0.0149	0.2561	0.0209	0.2305	-2.8304	-30.186	105.5505
23	0.0502	0.014	-0.1387	1.2153	-0.2106	0.4548	0.0362	0.0172	-0.0081	0.1886	-0.0567	0.0877	-0.0512	0.039	0.0205	0.2703	-0.0294	0.0072	0.2743	0.0027	0.244	6.3804	-15.1073	99.8973
24	4.3118	2.2625	-6.0939	5.2975	-6.4449	11.2131	0.2639	0.0369	0.321	0.1979	0.5038	0.6277	-0.5093	-0.4976	-0.7678	0.274	0.0841	-0.0474	0.3509	0.0381	0.2952	-8.9189	-14.0732	81.5076
25	0.3026	0.151	0.0153	0.6954	-0.278	0.5389	0.0372	0.0292	0.0313	-0.0462	-0.0542	0.0298	0.0865	-0.019	0.017	0.2708	0.0052	-0.0239	0.2651	-0.001	0.2725	7.3424	-22.9176	85.6081
26	1.1112	-0.0751	-0.471	1.8341	0.9263	2.0641	-0.0038	0.0783	0.1408	-0.2093	0.1038	-0.0241	-0.2865	-0.062	-0.0999	0.2922	-0.0169	0.0019	0.2573	0.0216	0.2403	27.5664	15.0572	68.272
27	1.0757	-2.2826	-1.3075	17.3881	6.8599	5.8472	0.1493	0.0313	0.1167	-0.6266	-0.0046	0.0335	-0.0781	-0.3735	-0.1447	0.3751	-0.0524	0.0056	0.241	0.045	0.1563	28.1219	16.4706	55.1837
28	0.9254	-1.2822	-0.27	3.0778	-0.7264	1.1511	-0.0457	0.0247	0.1289	-0.243	0.0173	-0.2994	0.1348	0.1222	0.0283	0.3149	-0.0897	0.0896	0.2921	-0.0315	0.225	36.4491	4.8292	58.9519
29	0.907	1.2322	0.1009	1.7197	0.1469	0.1457	-0.2234	0.0591	-0.0402	-0.4008	0.1188	-0.1013	-0.0326	0.0655	0.1045	0.3417	0.0026	0.0123	0.2603	-0.0243	0.2609	24.7943	-3.097	62.0709
30	0.2027	-0.15	-0.1397	0.5928	-0.152	0.3459	-0.0346	-0.0769	0.0315	-0.1554	-0.0111	-0.0495	0.0187	-0.0072	0.0457	0.2656	0.0063	-0.0011	0.2747	0.0052	0.2574	20.6901	0.1781	71.4162
31	0.7338	-0.248	-0.9959	0.9686	-0.0446	1.9588	-0.0062	-0.0089	0.1682	0.1041	0.0264	0.0199	-0.2122	0.1544	-0.0202	0.2814	-0.0298	-0.0019	0.2499	-0.0204	0.2833	15.6948	20.726	91.8607
32	1.3522	1.3593	0.1822	2.717	2.3543	3.6224	0.3053	-0.0459	0.1731	0.5038	-0.1439	0.1237	0.132	-0.0036	-0.1614	0.4378	-0.0571	0.0545	0.1999	-0.0624	0.2569	9.5257	21.1555	103.9393
33	0.0912	0.245	-0.1137	1.2943	-0.1088	0.2221	0.0572	0.0088	0.0243	0.1907	-0.0782	0.0531	-0.0287	-0.0093	0.0211	0.2588	-0.012	0.0018	0.2859	-0.0227	0.2641	9.3953	3.8111	96.4723
34	10.6401	-4.3015	-4.1374	15.7158	12.4329	11.8831	-0.5795	-1.326	-0.5715	1.7564	0.7209	-0.3423	0.9042	0.8209	-0.1414	0.4042	0.0241	-0.0756	0.48	0.1692	0.0931	31.7861	1.3676	101.3841
35	1.5207	-0.2412	-0.1974	0.1599	-0.0015	0.7632	-0.0554	-0.1014	0.0098	0.0474	0.0059	0.0078	-0.0126	0.098	0.0495	0.2387	-0.0202	-0.0157	0.2959	-0.0009	0.2559	21.9836	6.6843	87.0032
36	1.3659	0.1857	-1.5211	2.0547	-0.2902	1.7015	-0.2078	-0.121	-0.0613	-0.0301	0.1482	-0.0848	0.2662	0.1279	0.0596	0.3332	0.0225	-0.007	0.2179	-0.0014	0.2505	17.6154	-38.3782	76.3488
37	1.017	-1.9021	0.3545	4.5399	-0.4698	2.7362	-0.0888	-0.0305	0.0189	-0.4682	0.1677	-0.5612	0.2442	0.0848	-0.0789	0.492	0.0053	0.237	0.1568	-0.1164	0.3809	24.5156	-38.7078	64.4481
38	0.1489	0.2572	-0.1131	0.7142	-0.0183	0.4056	-0.0236	-0.0642	-0.0427	-0.1791	-0.0213	-0.1557	0.0402	-0.0138	0.0449	0.3156	0.0268	0.0447	0.2352	0.0128	0.2646	22.5084	-20.795	71.1026
39	0.8559	-1.4629	-3.2089	2.5325	5.5651	12.2437	0.231	-0.1796	0.2375	-0.2687	0.4896	-0.3906	-0.5666	0.9938	-0.7206	0.0857	0.0966	0.1477	0.5557	-0.0108	0.6108	37.434	-22.7571	88.4656
40	0.4238	0.144	-0.4484	0.5174	-0.0261	0.7725	0.0564	-0.1196	0.0397	-0.0631	-0.1249	-0.117	0.1177	-0.0148	0.0685	0.2861	0.0001	0.0047	0.2746	0.0061	0.2714	18.8558	-25.3432	85.465

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	6 - 53
2	X-RAY DIFFRACTION	2	A	54 - 67
3	X-RAY DIFFRACTION	3	A	68 - 103
4	X-RAY DIFFRACTION	4	A	104 - 208
5	X-RAY DIFFRACTION	5	A	209 - 262
6	X-RAY DIFFRACTION	6	B	6 - 56
7	X-RAY DIFFRACTION	7	B	57 - 79
8	X-RAY DIFFRACTION	8	B	80 - 202
9	X-RAY DIFFRACTION	9	B	203 - 221
10	X-RAY DIFFRACTION	10	B	222 - 262
11	X-RAY DIFFRACTION	11	C	6 - 44
12	X-RAY DIFFRACTION	12	C	45 - 60
13	X-RAY DIFFRACTION	13	C	61 - 78
14	X-RAY DIFFRACTION	14	C	79 - 200
15	X-RAY DIFFRACTION	15	C	201 - 262
16	X-RAY DIFFRACTION	16	D	6 - 46
17	X-RAY DIFFRACTION	17	D	47 - 79
18	X-RAY DIFFRACTION	18	D	80 - 201
19	X-RAY DIFFRACTION	19	D	202 - 221
20	X-RAY DIFFRACTION	20	D	222 - 262
21	X-RAY DIFFRACTION	21	E	6 - 33
22	X-RAY DIFFRACTION	22	E	34 - 79
23	X-RAY DIFFRACTION	23	E	80 - 202
24	X-RAY DIFFRACTION	24	E	203 - 221
25	X-RAY DIFFRACTION	25	E	222 - 262
26	X-RAY DIFFRACTION	26	F	6 - 47
27	X-RAY DIFFRACTION	27	F	48 - 64
28	X-RAY DIFFRACTION	28	F	65 - 89
29	X-RAY DIFFRACTION	29	F	90 - 116
30	X-RAY DIFFRACTION	30	F	117 - 262
31	X-RAY DIFFRACTION	31	G	6 - 44
32	X-RAY DIFFRACTION	32	G	45 - 86
33	X-RAY DIFFRACTION	33	G	87 - 200
34	X-RAY DIFFRACTION	34	G	201 - 221
35	X-RAY DIFFRACTION	35	G	222 - 262
36	X-RAY DIFFRACTION	36	H	6 - 43
37	X-RAY DIFFRACTION	37	H	44 - 90
38	X-RAY DIFFRACTION	38	H	91 - 202
39	X-RAY DIFFRACTION	39	H	203 - 221
40	X-RAY DIFFRACTION	40	H	222 - 262

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