PDB-3dh9: Crystal Structure of Drosophila Thioredoxin Reductase, wild-type

ID or keywords:

Entry

Database: PDB / ID: 3dh9

Title

Crystal Structure of Drosophila Thioredoxin Reductase, wild-type

Components

Thioredoxin reductase 1

Keywords

OXIDOREDUCTASE / rossmann /

flavoprotein / Alternative initiation / FAD /

Mitochondrion /

NADP / Redox-active center / Transit peptide

Function / homology

Function and homology information

: / Detoxification of Reactive Oxygen Species / TP53 Regulates Metabolic Genes / Interconversion of nucleotide di- and triphosphates /

thioredoxin-disulfide reductase / thioredoxin-disulfide reductase (NADPH) activity /

antioxidant activity / cell redox homeostasis / determination of adult lifespan /

flavin adenine dinucleotide binding ...
Similarity search - Function

Biological species

Drosophila melanogaster (fruit fly)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.25 Å

Authors

Eckenroth, B.E. / Hondal, R.J. / Everse, S.J.

Citation

Journal: To be Published
Title: Crystal Structure of Drosophila Thioredoxin Reductase, wild-type
Authors: Eckenroth, B.E. / Hondal, R.J. / Everse, S.J.

History

Deposition	Jun 17, 2008	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 16, 2009	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.2	Oct 25, 2017	Group: Refinement description / Category: software
Revision 1.3	Jan 24, 2018	Group: Database references / Structure summary / Category: audit_author / citation_author / Item: _audit_author.name / _citation_author.name
Revision 1.4	Oct 20, 2021	Group: Database references / Derived calculations / Category: 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	3dh9.cif.gz	208.2 KB	Display	PDBx/mmCIF format
PDB format	pdb3dh9.ent.gz	175.5 KB	Display	PDB format
PDBx/mmJSON format	3dh9.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/dh/3dh9 ftp://data.pdbj.org/pub/pdb/validation_reports/dh/3dh9	HTTPS FTP

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Related structure data

Related structure data	2nvk 3dgh
Similar structure data	1h6v-1 2nvk-1 2j3n-2 2zzb-2 2cfy-2 2zz0-2 4kpr-1 1h6v-3 3ean-2 2j3n-3 Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#154 - Oct 2012 Citric Acid Cycle similarity (9) #153 - Sep 2012 Pyruvate Dehydrogenase Complex similarity (8) #82 - Oct 2006 Cytochrome p450 similarity (2) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

Deposited unit

A: Thioredoxin reductase 1

B: Thioredoxin reductase 1

hetero molecules

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

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	150.971, 150.971, 267.706
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	155
Space group name H-M	H32

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
1	2	A
2	2	B
1	3	A
2	3	B

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Refine code	Auth asym-ID	Auth seq-ID
1	1	1	4	A	500
2	1	1	4	B	500
1	2	1	4	A	5 - 163
2	2	1	4	B	5 - 163
1	3	1	4	A	291 - 363
2	3	1	4	B	291 - 363
1	1	2	4	A	164 - 290
2	1	2	4	B	164 - 290
1	1	3	4	A	364 - 486
2	1	3	4	B	364 - 486

NCS ensembles :

ID
1
2
3

#1: Protein	Thioredoxin reductase 1 / / TrxR-1 Mass: 52435.699 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Drosophila melanogaster (fruit fly) / Gene: Trxr-1, GR, CG2151 / Plasmid: pTYB1 / Production host: Escherichia coli (E. coli) / Strain (production host): ER2566 References: UniProt: P91938, thioredoxin-disulfide reductase
#2: Chemical	ChemComp-FAD / FLAVIN-ADENINE DINUCLEOTIDE / Flavin adenine dinucleotide Mass: 785.550 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂₇H₃₃N₉O₁₅P₂ / Comment: FAD*YM
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 512 / 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: 2.8 Å³/Da / Density % sol: 56.06 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5.5 Details: 0.1 M MES, 20% PEG 4000, pH 5.5, vapor diffusion, hanging drop, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: NSLS / Beamline: X4C / Wavelength: 0.979 Å
Detector	Type: MAR CCD 165 mm / Detector: CCD / Date: Apr 10, 2008 / Details: mirrors
Radiation	Monochromator: Si (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 2.25→32 Å / Num. obs: 55708 / % possible obs: 100 % / Redundancy: 12.3 % / R_merge(I) obs: 0.089 / Χ²: 0.961 / Net I/σ(I): 8
Reflection shell	Resolution: 2.25→2.33 Å / Redundancy: 11.3 % / R_merge(I) obs: 0.438 / Mean I/σ(I) obs: 5.38 / Num. unique all: 5517 / Χ²: 1.194 / % possible all: 100

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Phasing

Phasing

Method:

molecular replacement

Phasing MR

	Highest resolution	Lowest resolution
Translation	2.26 Å	31.76 Å

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
MOLREP		phasing
REFMAC		refinement
PDB_EXTRACT	3.006	data extraction
Custom pXSCAN motion control software coupled with the Mar345 data collection software		data collection

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.25→31.17 Å / Cor.coef. F_o:F_c: 0.959 / Cor.coef. F_o:F_c free: 0.92 / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.811 / SU B: 11.708 / SU ML: 0.155 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.275 / ESU R Free: 0.231 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.248	5611	10.1 %	RANDOM
R_work	0.177	-	-	-
obs	0.184	55705	99.98 %	-

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 max: 433.43 Å² / B_iso mean: 14.901 Å² / B_iso min: 2 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.48 Å²	0.24 Å²	0 Å²
2-	-	0.48 Å²	0 Å²
3-	-	-	-0.72 Å²

Refinement step

Cycle: LAST / Resolution: 2.25→31.17 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7384	0	106	512	8002

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.023	0.022	7652
X-RAY DIFFRACTION	r_angle_refined_deg	2.045	1.988	10414
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.961	5	962
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.563	24.167	312
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	18.558	15	1258
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.26	15	42
X-RAY DIFFRACTION	r_chiral_restr	0.165	0.2	1180
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.02	5720
X-RAY DIFFRACTION	r_nbd_refined	0.232	0.2	3714
X-RAY DIFFRACTION	r_nbtor_refined	0.312	0.2	5158
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.179	0.2	559
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.22	0.2	49
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.242	0.2	13
X-RAY DIFFRACTION	r_mcbond_it	0.953	1.5	4940
X-RAY DIFFRACTION	r_mcangle_it	1.492	2	7676
X-RAY DIFFRACTION	r_scbond_it	2.601	3	3239
X-RAY DIFFRACTION	r_scangle_it	3.908	4.5	2738

Refine LS restraints NCS

Dom-ID: 1 / Auth asym-ID: A / Refine-ID: X-RAY DIFFRACTION

Ens-ID	Number	Type	Rms dev position (Å)	Weight position
1	1807	MEDIUM POSITIONAL	0.44	0.5
1	1807	MEDIUM THERMAL	1.08	2
2	979	MEDIUM POSITIONAL	0.19	0.5
2	979	MEDIUM THERMAL	0.88	2
3	959	MEDIUM POSITIONAL	0.15	0.5
3	959	MEDIUM THERMAL	1.01	2

LS refinement shell

Resolution: 2.25→2.309 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.285	394	-
R_work	0.185	3708	-
all	-	4102	-
obs	-	-	100 %

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	1.5275	0.6821	1.323	5.1421	1.5151	3.0481	0.3421	0.1912	-0.1469	-0.3724	-0.1644	0.218	0.135	-0.283	-0.1778	-0.0282	-0.0572	-0.051	0.0761	-0.0301	-0.0864	78.62	166.706	38.692
2	4.6907	2.004	4.3205	1.4794	3.2114	6.9712	-0.0254	0.0097	-0.0213	0.1712	-0.0314	-0.083	-0.2825	-0.3105	0.0569	0.0362	-0.0417	0.067	-0.0042	0.0047	-0.0638	88.143	174.38	55.467
3	1.1514	0.0779	1.5895	3.14	0.4574	2.2334	-0.1591	-0.0678	-0.0672	-0.0419	0.1033	0.0413	-0.6381	-0.1891	0.0557	0.0948	-0.12	0.0612	-0.0257	-0.0181	-0.0763	102.486	178.161	70.057
4	16.0061	-0.3154	6.6223	0.3748	-0.7803	8.7444	-0.4759	-0.6805	1.0443	0.5235	-0.2202	-0.3069	-1.4607	-0.453	0.6961	0.267	-0.1069	-0.0606	-0.1547	-0.0205	0.0535	98.78	187.625	61.685
5	2.6955	3.7786	3.9385	7.8315	9.952	13.5006	0.138	0.3001	-0.1668	0.0202	0.027	-0.1246	-0.2336	0.2777	-0.165	-0.0481	-0.0988	0.0374	0.0321	0.0075	-0.075	92.332	173.245	42.809
6	5.2751	-0.1845	1.2206	2.4877	-0.8306	1.1656	0.3026	0.264	-0.0082	-0.4267	0.0623	0.0535	0.2239	0.2155	-0.3648	-0.0223	-0.0579	-0.0755	0.127	-0.0634	-0.115	78.182	165.695	32.709
7	14.5123	12.4053	-1.8618	16.3175	-1.3048	10.1512	0.1598	0.7008	0.4156	-0.5045	0.4753	0.6144	0.0576	0.4571	-0.6351	-0.0752	-0.0682	-0.0756	0.1172	0.0628	-0.0892	70.674	171.046	29.155
8	1.201	-0.3079	0.7923	0.5519	-0.8788	1.4881	0.095	0.1984	-0.0794	-0.2617	-0.0303	0.4894	0.0565	-0.4381	-0.0647	-0.0949	-0.032	-0.0447	0.2049	0.0362	-0.0155	69.673	172.56	42.116
9	2.5177	0.3661	-1.2673	0.1425	0.262	2.8681	0.2277	0.199	0.1346	0.0352	-0.181	-0.0739	-0.7432	-0.1335	-0.0468	0.0686	0.0566	0.0751	-0.0379	0.0517	-0.0358	78.418	186.75	52.404
10	2.7148	0.442	-0.7999	1.0833	-0.5828	1.5434	-0.0481	0.0157	0.2669	0.0462	0.1594	0.1115	-0.2992	-0.1245	-0.1112	0.0837	0.0404	0.0812	-0.0547	-0.0275	-0.0482	81.995	184.312	63.271
11	1.5239	1.2144	-0.1816	3.7743	-1.2518	1.2102	-0.0768	-0.2002	-0.0867	0.275	0.1823	0.1375	-0.2643	-0.2469	-0.1056	-0.0218	0.0474	0.0975	0.0237	-0.0257	-0.0764	77.625	175.75	73.06
12	4.7664	3.3765	-3.8878	7.3921	-4.6086	8.1426	-0.1476	-0.0807	0.7851	0.455	0.169	0.1459	-0.6425	-0.4185	-0.0213	0.1306	0.2882	0.0968	-0.1262	0.0353	0.1221	71.945	194.754	62.899
13	0.5095	0.2294	0.3211	1.0337	-0.6712	2.4896	0.0013	0.1562	0.3022	0.2521	0.2081	0.4711	-0.5402	-0.6798	-0.2094	0.0209	0.1492	0.1452	0.0375	0.0306	0.0928	70.029	186.015	61.127
14	3.8107	-0.3181	2.7821	2.4639	0.4023	2.2652	0.2831	-0.5284	-0.5231	-0.0364	0.2054	0.6208	0.4668	-0.5819	-0.4885	-0.0969	-0.224	-0.0438	0.1945	0.1126	0.1021	65.636	162.397	46.869
15	1.1667	0.7637	2.8619	4.4632	3.5903	7.861	0.3188	-0.0825	-0.2326	0.0749	0.1274	0.3107	0.7287	-0.6285	-0.4461	-0.0039	-0.1845	-0.0739	0.0204	0.0438	0.017	78.643	156.841	53.418
16	3.8947	1.1255	-0.9743	1.1946	-0.6391	0.8995	0.0235	-0.0813	-0.2237	0.0909	0.1456	0.1082	0.0163	-0.3787	-0.169	-0.0811	-0.0392	0.0789	0.0153	0.0377	-0.0237	76.682	159.525	77.212
17	3.615	2.4775	0.9808	3.5621	-0.1888	1.4797	-0.2157	-0.1151	-0.0254	0.0072	0.2358	0.1197	-0.0989	-0.2748	-0.02	-0.0515	-0.0072	0.1045	-0.0703	0.0155	-0.1057	85.667	162.625	79.277
18	1.2493	0.8043	-0.5459	1.1253	-0.8971	0.7286	-0.0191	0.1293	0.0498	0.1127	0.0925	0.1834	-0.0549	-0.2065	-0.0735	-0.0157	-0.0579	0.0813	-0.03	-0.025	-0.0034	85.009	158.995	69.609
19	6.0797	3.0184	0.618	2.5482	0.4456	0.9524	0.0103	-0.2734	-0.2403	0.0344	0.0616	0.0838	0.1155	-0.0989	-0.0718	0.0257	-0.0465	0.0564	-0.0872	0.0297	-0.0331	89.656	152.472	75.465
20	6.3801	-0.5533	-5.498	5.9346	-0.2836	8.3204	0.1263	-1.179	-0.1816	0.2703	0.0942	-0.2099	-0.1309	0.5358	-0.2206	-0.0229	-0.0761	0.1085	0.0596	0.0401	-0.1012	82.388	159.316	87.321
21	3.2203	-0.3977	2.249	2.2137	1.466	2.9754	0.2754	-0.2269	-0.1949	-0.0332	-0.1203	0.167	-0.235	-0.6208	-0.155	-0.0399	-0.0986	0.0189	0.1128	0.0232	-0.0381	78.026	170.013	48.905
22	2.8105	0.307	-2.4031	0.8397	-0.0795	3.939	0.1104	-0.143	0.0425	0.0166	-0.1029	0.094	0.1824	0.0973	-0.0076	0.1003	-0.0161	0.0496	-0.1442	-0.0016	-0.0852	99.958	147.201	98.241
23	4.2261	1.2331	-1.1251	1.1535	-0.3681	1.4742	-0.0742	-0.3241	-0.0185	0.1431	0.0512	-0.1062	0.2108	0.2994	0.023	0.0209	0.0319	0.0349	-0.0659	-0.0361	-0.1058	111.062	155.528	93.655
24	0.0727	-0.3833	0.1313	3.179	-1.7882	1.2746	-0.1	0.0017	-0.0423	-0.2654	0.1771	0.1778	0.1368	0.0366	-0.077	0.038	-0.0367	0.0449	-0.0146	-0.0463	-0.0354	107.765	164.703	76.451
25	2.5581	-0.2068	1.8823	1.5922	-3.1905	7.2445	-0.1322	0.2653	0.006	0.0417	-0.0281	-0.1566	0.0921	0.4425	0.1603	0.1365	-0.1005	0.0425	-0.0687	-0.0388	-0.0737	103.778	178.207	62.389
26	2.2264	-1.3999	4.3383	10.6049	-7.2517	10.6744	-0.0972	0.539	0.4708	-0.047	-0.2666	-0.2791	-0.3881	1.3745	0.3638	-0.0235	-0.1417	0.0225	0.0115	0.0219	0.0282	114.073	177.715	73.971
27	3.6771	3.9618	-7.5352	5.2385	-7.6114	15.7063	-0.0452	-0.0534	0.0585	0.3133	0.0871	-0.0421	-0.3282	0.2198	-0.042	0.0767	0.0292	0.0199	-0.0881	-0.0373	-0.0496	104.449	165.989	92.137
28	2.641	-0.5456	0.9675	3.2039	0.0828	1.5476	0.0762	-0.388	-0.1218	0.3352	0.0959	0.1534	0.1262	0.1235	-0.1721	0.1096	0.0507	0.0421	-0.1229	0.0154	-0.1566	106.199	148.632	102.259
29	3.5996	-0.0627	-2.2395	0.8562	-0.8407	4.1826	-0.0416	-0.2269	-0.0505	0.2123	0.1594	-0.2422	0.1125	0.3728	-0.1177	0.0125	0.087	-0.0115	-0.1486	-0.0512	-0.0633	115.814	148.078	95.65
30	3.0059	0.6896	-0.6551	3.3302	0.1178	0.968	-0.1681	-0.2493	0.2749	-0.056	0.098	-0.239	-0.0535	0.3427	0.0702	-0.0757	0.0053	0.041	0.0372	-0.0612	-0.017	123.592	161.172	81.955
31	1.3922	0.3298	-0.2812	2.3064	-0.4816	1.4534	0.034	-0.0598	0.001	-0.0674	-0.0951	-0.1563	0.0544	0.336	0.061	-0.0357	-0.0044	0.1108	0.0378	-0.0397	-0.0452	118.667	159.161	69.581
32	3.4829	4.2093	0.9123	5.0938	0.9736	2.7434	-0.0399	0.3534	-0.2344	-0.1154	0.1964	-0.1601	-0.0093	0.3657	-0.1566	0.0105	0.0161	0.134	-0.0172	-0.0551	-0.0558	113.001	156.427	59.373
33	0.2538	-0.5738	-0.2263	1.3471	0.1406	2.969	0.0168	-0.007	0.0008	-0.2334	0.0378	-0.4573	0.0786	0.4965	-0.0545	-0.1534	0.0408	0.1568	0.0865	-0.0585	0.0877	129.968	155.478	71.044
34	3.4679	0.7845	-0.1933	3.4403	1.1046	2.5267	0.0879	0.0118	-0.4458	0.1547	0.0377	-0.2397	0.4437	0.2704	-0.1255	0.1045	0.0722	0.0018	-0.2452	-0.0193	-0.0188	109.611	136.295	91.028
35	4.8234	-2.5553	1.1736	6.3551	-2.0016	3.5411	-0.0884	0.2841	-0.2244	-0.2036	0.0139	0.0189	0.3604	0.0419	0.0744	0.036	0.0021	0.0401	-0.1544	-0.0595	-0.0657	104.644	145.155	81.651
36	2.7173	1.2477	-2.171	2.3616	-5.858	14.9455	-0.0843	0.0998	-0.1636	-0.2156	0.2686	0.1703	1.0156	-0.4009	-0.1842	0.1041	-0.063	0.024	-0.2072	0.0117	-0.0384	93.828	141.207	86.706
37	1.1046	1.1592	-0.6145	1.4567	-0.6736	2.2895	-0.1116	0.054	-0.3224	-0.2321	-0.0588	-0.2007	0.5232	0.1116	0.1705	0.1284	0.0221	0.1255	-0.1056	-0.0784	0.0371	101.801	146.115	60.76
38	0.9812	-0.6892	0.335	7.6833	-1.6477	3.2791	-0.1192	0.3315	0.003	-0.1227	-0.0822	-0.0128	0.1049	0.0751	0.2014	-0.0256	-0.0983	0.0618	-0.013	-0.0584	-0.096	102.1	165.487	54.068
39	6.5561	0.4413	0.1717	7.2522	3.3033	1.5047	-0.6885	0.5286	-0.8757	-0.8788	0.4575	0.0723	0.5673	-0.2775	0.2311	0.3438	-0.2029	0.089	-0.0387	-0.0905	-0.0032	92.747	140.733	56.439
40	0.6062	-0.2437	-0.347	1.358	-0.4427	1.7032	-0.0869	0.1087	-0.1632	-0.244	0.0714	0.0568	0.2886	-0.0549	0.0155	0.053	-0.0924	0.0514	-0.079	-0.0569	-0.0233	91.656	152.892	61.861
41	6.3533	1.9654	-3.9013	2.205	2.4475	10.7581	-0.1497	0.6348	0.1531	-0.4988	-0.1768	0.4649	-0.1963	-0.2831	0.3265	0.2479	-0.1277	-0.0268	-0.023	-0.0992	-0.1138	97.209	150.114	47.158
42	3.3529	1.0529	0.955	2.6358	0.9495	0.4551	0.0837	-0.1127	-0.163	-0.1452	0.1891	0.0709	0.4853	0.0496	-0.2727	0.0599	0.0138	0.0448	-0.069	-0.0354	-0.0293	109.253	152.338	85.587

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	X-RAY DIFFRACTION	1	A	A	5 - 58	1 - 54
2	X-RAY DIFFRACTION	2	A	A	59 - 69	55 - 65
3	X-RAY DIFFRACTION	3	A	A	70 - 87	66 - 83
4	X-RAY DIFFRACTION	4	A	A	88 - 99	84 - 95
5	X-RAY DIFFRACTION	5	A	A	100 - 118	96 - 114
6	X-RAY DIFFRACTION	6	A	A	119 - 134	115 - 130
7	X-RAY DIFFRACTION	7	A	A	135 - 146	131 - 142
8	X-RAY DIFFRACTION	8	A	A	147 - 168	143 - 164
9	X-RAY DIFFRACTION	9	A	A	169 - 183	165 - 179
10	X-RAY DIFFRACTION	10	A	A	184 - 218	180 - 214
11	X-RAY DIFFRACTION	11	A	A	219 - 245	215 - 241
12	X-RAY DIFFRACTION	12	A	A	246 - 265	242 - 261
13	X-RAY DIFFRACTION	13	A	A	266 - 293	262 - 289
14	X-RAY DIFFRACTION	14	A	A	294 - 335	290 - 331
15	X-RAY DIFFRACTION	15	A	A	336 - 371	332 - 367
16	X-RAY DIFFRACTION	16	A	A	372 - 401	368 - 397
17	X-RAY DIFFRACTION	17	A	A	402 - 426	398 - 422
18	X-RAY DIFFRACTION	18	A	A	427 - 448	423 - 444
19	X-RAY DIFFRACTION	19	A	A	449 - 472	445 - 468
20	X-RAY DIFFRACTION	20	A	A	473 - 486	469 - 482
21	X-RAY DIFFRACTION	21	A	C	500	1
22	X-RAY DIFFRACTION	22	B	B	5 - 30	1 - 26
23	X-RAY DIFFRACTION	23	B	B	31 - 59	27 - 55
24	X-RAY DIFFRACTION	24	B	B	60 - 72	56 - 68
25	X-RAY DIFFRACTION	25	B	B	73 - 87	69 - 83
26	X-RAY DIFFRACTION	26	B	B	88 - 102	84 - 98
27	X-RAY DIFFRACTION	27	B	B	103 - 117	99 - 113
28	X-RAY DIFFRACTION	28	B	B	118 - 139	114 - 135
29	X-RAY DIFFRACTION	29	B	B	140 - 168	136 - 164
30	X-RAY DIFFRACTION	30	B	B	169 - 184	165 - 180
31	X-RAY DIFFRACTION	31	B	B	185 - 225	181 - 221
32	X-RAY DIFFRACTION	32	B	B	226 - 243	222 - 239
33	X-RAY DIFFRACTION	33	B	B	244 - 291	240 - 287
34	X-RAY DIFFRACTION	34	B	B	292 - 324	288 - 320
35	X-RAY DIFFRACTION	35	B	B	325 - 340	321 - 336
36	X-RAY DIFFRACTION	36	B	B	341 - 361	337 - 357
37	X-RAY DIFFRACTION	37	B	B	362 - 397	358 - 393
38	X-RAY DIFFRACTION	38	B	B	398 - 414	394 - 410
39	X-RAY DIFFRACTION	39	B	B	415 - 426	411 - 422
40	X-RAY DIFFRACTION	40	B	B	427 - 472	423 - 468
41	X-RAY DIFFRACTION	41	B	B	473 - 486	469 - 482
42	X-RAY DIFFRACTION	42	B	D	500	1

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