PDB-3igr: The Crystal Structure of Ribosomal-protein-S5-alanine Acetyltrans...

ID or keywords:

Entry

Database: PDB / ID: 3igr

Title

The Crystal Structure of Ribosomal-protein-S5-alanine Acetyltransferase from Vibrio fischeri to 2.0A

Components

Ribosomal-protein-S5-alanine N-acetyltransferase

Keywords

TRANSFERASE / Ribosomal-protein / alanine / acetyltransferase / vibrio / fischeri / PSI / MCSG / Structural Genomics / Midwest Center for Structural Genomics / Protein Structure Initiative / Acyltransferase

Function / homology

Function and homology information

: / ribosomal-protein-alanine N-acetyltransferase / peptide-alanine-alpha-N-acetyltransferase activity
Similarity search - Function

Biological species

Vibrio fischeri (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON / Resolution: 2 Å

Authors

Stein, A.J. / Sather, A. / Shackelford, G. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Citation

Journal: To be Published
Title: The Crystal Structure of Ribosomal-protein-S5-alanine Acetyltransferase from Vibrio fischeri to 2.0A
Authors: Stein, A.J. / Sather, A. / Shackelford, G. / Joachimiak, A.

History

Deposition	Jul 28, 2009	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 1, 2009	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Source and taxonomy / Version format compliance
Revision 1.2	Nov 1, 2017	Group: Refinement description / Category: software Item: _software.classification / _software.contact_author ..._software.classification / _software.contact_author / _software.contact_author_email / _software.date / _software.language / _software.location / _software.name / _software.type / _software.version

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3igr.cif.gz	90 KB	Display	PDBx/mmCIF format
PDB format	pdb3igr.ent.gz	76.7 KB	Display	PDB format
PDBx/mmJSON format	3igr.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	3igr_validation.pdf.gz	448.1 KB	Display	wwPDB validaton report
Full document	3igr_full_validation.pdf.gz	452.1 KB	Display
Data in XML	3igr_validation.xml.gz	16.6 KB	Display
Data in CIF	3igr_validation.cif.gz	23.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ig/3igr ftp://data.pdbj.org/pub/pdb/validation_reports/ig/3igr	HTTPS FTP

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Related structure data

Similar structure data	6sp1-d 3uy8-d 6rog-d 6qql-d 2qy6-1 4npm-d 2qy6-2 3k60-d 3wi7-d 6das-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) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetDB: APC61240.1

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#146 - Feb 2012 Aminoglycoside Antibiotics similarity (3) #97 - Jan 2008 Circadian Clock Proteins similarity (3)

Deposited unit

A: Ribosomal-protein-S5-alanine N-acetyltransferase

B: Ribosomal-protein-S5-alanine N-acetyltransferase

hetero molecules

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

1

Idetical with deposited unit
defined by author

2

A: Ribosomal-protein-S5-alanine N-acetyltransferase

hetero molecules

A: Ribosomal-protein-S5-alanine N-acetyltransferase

hetero molecules

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

3

B: Ribosomal-protein-S5-alanine N-acetyltransferase

hetero molecules

B: Ribosomal-protein-S5-alanine N-acetyltransferase

hetero molecules

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

Unit cell

Length a, b, c (Å)	63.504, 107.173, 145.719
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	20
Space group name H-M	C222₁

Details

author states that the biological unit is the same as asymmetric unit.

#1: Protein	Ribosomal-protein-S5-alanine N-acetyltransferase Mass: 21836.266 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vibrio fischeri (bacteria) / Strain: ES114 / Gene: rimJ, VFA0750, VF_A0750 / Plasmid: pMCSG19 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) References: UniProt: Q5DZH6, ribosomal-protein-alanine N-acetyltransferase
#2: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Na
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 143 / 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: 2.87 Å³/Da / Density % sol: 57.2 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 9 Details: 10% PEG 20000, 2% Dioxane, 0.1M Bicine pH 9, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 19-ID / Wavelength: 0.9794 Å

Detector

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

Radiation

Monochromator: Double crystal / Protocol: SINGLE WAVELENGTH / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.9794 Å / Relative weight: 1

Reflection

Resolution: 2→50 Å / Num. obs: 34070 / % possible obs: 99.8 % / Redundancy: 4.9 % / R_merge(I) obs: 0.094 / Χ²: 1.381 / Net I/σ(I): 6.4

Reflection shell

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique all	Χ²	Diffraction-ID	% possible all
2-2.07	4.9	0.7	3367	1.058	1	100
2.07-2.15	4.9	0.54	3369	0.983	1	100
2.15-2.25	4.9	0.397	3339	0.962	1	100
2.25-2.37	4.9	0.305	3389	0.949	1	100
2.37-2.52	5	0.23	3380	0.917	1	99.9
2.52-2.71	4.9	0.159	3390	0.973	1	99.9
2.71-2.99	4.9	0.115	3416	1.174	1	99.9
2.99-3.42	4.9	0.082	3413	1.556	1	99.9
3.42-4.31	4.8	0.051	3449	1.732	1	99.9
4.31-50	4.8	0.056	3558	3.495	1	98.9

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
REFMAC	refmac_5.5.0102	refinement
PDB_EXTRACT	3.004	data extraction

Refinement

Resolution: 2→50 Å / Cor.coef. F_o:F_c: 0.948 / Cor.coef. F_o:F_c free: 0.931 / WR_factor R_free: 0.225 / WR_factor R_work: 0.197 / SU B: 9.003 / SU ML: 0.116 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.168 / ESU R Free: 0.151 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : RESIDUAL ONLY

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.237	1728	5.1 %	RANDOM
R_work	0.205	-	-	-
obs	0.207	34029	99.65 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 11.69 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.07 Å²	0 Å²	0 Å²
2-	-	1.69 Å²	0 Å²
3-	-	-	-1.76 Å²

Refinement step

Cycle: LAST / Resolution: 2→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	2992	0	8	143	3143

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.012	0.022	3132
X-RAY DIFFRACTION	r_angle_refined_deg	1.278	1.913	4251
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.285	5	376
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	31.575	22.893	159
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	16.585	15	514
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	16.645	15	21
X-RAY DIFFRACTION	r_chiral_restr	0.088	0.2	443
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.021	2426
X-RAY DIFFRACTION	r_mcbond_it	0.467	1.5	1840
X-RAY DIFFRACTION	r_mcangle_it	0.828	2	2962
X-RAY DIFFRACTION	r_scbond_it	1.67	3	1292
X-RAY DIFFRACTION	r_scangle_it	2.425	4.5	1283

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
1.997-2.049	0.268	112	0.243	2314	2483	97.704
2.049-2.105	0.309	142	0.241	2273	2418	99.876
2.105-2.166	0.302	123	0.228	2226	2353	99.83
2.166-2.232	0.248	107	0.213	2209	2319	99.871
2.232-2.305	0.256	102	0.218	2140	2247	99.777
2.305-2.386	0.275	108	0.214	2037	2145	100
2.386-2.476	0.264	108	0.219	1967	2078	99.856
2.476-2.577	0.268	86	0.228	1920	2006	100
2.577-2.692	0.286	93	0.223	1846	1941	99.897
2.692-2.823	0.222	91	0.216	1764	1857	99.892
2.823-2.975	0.284	86	0.216	1665	1752	99.943
2.975-3.155	0.226	109	0.206	1560	1672	99.821
3.155-3.373	0.235	84	0.205	1483	1568	99.936
3.373-3.642	0.249	73	0.199	1408	1482	99.933
3.642-3.989	0.17	65	0.183	1288	1356	99.779
3.989-4.458	0.22	73	0.171	1166	1239	100
4.458-5.145	0.189	59	0.166	1038	1098	99.909
5.145-6.293	0.227	44	0.219	897	945	99.577
6.293-8.867	0.25	45	0.221	693	746	98.928
8.867-72.932	0.18	18	0.209	407	445	95.506

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	16.1345	0.8303	-1.7372	13.4149	-11.4136	17.6172	-0.4907	0.1683	-2.1076	-0.8635	-0.1987	-0.0483	1.4169	0.0338	0.6894	0.3752	0.0908	0.0368	0.3512	-0.064	0.4229	17.1382	3.324	15.9846
2	1.9665	-3.1617	-4.5733	-0.6253	1.7164	12.6708	-0.1827	-0.074	0.0257	-0.1538	0.1804	-0.0161	0.4044	0.5787	0.0022	0.2311	0.1256	0.0617	0.3881	0.0967	0.2809	22.2693	5.1685	20.3272
3	2.0676	-2.3341	4.7008	14.0378	8.0959	8.0819	-0.2073	0.4475	-0.169	0.5772	0.5286	0.1048	0.887	1.6115	-0.3213	0.3945	0.5419	0.1351	1.0516	0.1974	0.1876	23.9976	-1.8514	31.1922
4	19.7237	7.6493	-12.5855	10.4492	7.3979	22.1264	-0.0815	-0.9318	0.2384	0.1642	0.5226	-0.2426	0.6276	2.1378	-0.4411	0.1405	0.1469	-0.0504	1.0319	0.1853	0.172	25.6536	7.885	39.0321
5	3.937	1.7307	-4.4723	17.0392	-1.4197	6.1399	-0.2861	-0.2383	0.0409	-1.4064	-0.0416	-0.5923	0.5641	1.3037	0.3277	0.2953	0.215	0.1189	0.7445	0.2648	0.2469	18.6418	8.1446	43.4053
6	9.6793	0.8657	8.1583	1.3164	1.3244	18.45	0.1664	-0.0287	-0.1538	0.2033	0.0048	0.4346	1.4938	0.759	-0.1712	0.4922	0.3401	0.2052	0.4679	0.1678	0.2585	20.2564	-4.2884	38.3076
7	38.5414	-22.7049	12.0609	14.1104	-10.5198	4.3654	1.0235	-0.4981	-1.4684	-2.218	-0.5444	1.6602	1.9731	0.5438	-0.4791	1.0283	0.3058	0.0337	0.2777	0.0819	0.6193	10.6083	-5.3632	30.084
8	9.6313	2.4778	-2.6454	3.0081	-0.1367	5.3143	-0.3135	-0.0681	-0.6289	-0.1138	0.0299	0.273	0.4601	0.2519	0.2835	0.183	0.0487	0.0062	0.1692	0.0969	0.2607	13.8187	2.6293	25.2386
9	17.982	4.3784	-6.7746	12.7661	-9.9363	23.8697	-0.3118	-0.1518	-0.5895	-0.4521	0.1739	-0.7543	0.8738	1.6758	0.1379	0.1871	0.1259	0.0469	0.6052	0.1351	0.2772	30.4439	3.3758	22.7968
10	26.8981	2.7157	-1.1459	2.0529	-0.8455	2.7822	-0.0101	-0.8732	-0.4161	0.1125	-0.2124	0.0279	0.073	0.1787	0.2225	0.094	-0.0013	-0.0286	0.1777	0.0785	0.1798	10.6102	6.962	28.9569
11	13.9819	0.6745	0.1212	0.7356	0.6077	3.2352	-0.0773	-0.5353	0.0081	0.0104	-0.057	-0.1273	0.0372	0.4553	0.1343	0.1037	0.0118	-0.0188	0.1352	0.0683	0.1098	9.3721	10.3664	29.0462
12	12.1549	2.8227	2.9011	15.3079	-2.0014	18.7476	0.1957	-0.9509	-0.0341	0.7381	0.0746	-0.638	-0.408	1.2647	-0.2704	0.1759	-0.0281	0.0054	0.3283	-0.0013	0.2617	23.1105	16.8983	23.8926
13	36.0668	11.5424	7.194	4.9246	7.2173	8.622	-0.0932	0.7953	-0.3713	-0.135	-0.1208	-0.0089	-0.1934	-0.2379	0.214	0.1648	0.0776	0.0019	0.244	0.0508	0.1318	10.2282	11.1082	19.7927
14	4.1161	-0.7157	-0.5239	2.9098	3.5957	3.6137	0.2489	0.4475	-0.3151	-0.3761	0.0627	-0.2805	-0.306	0.1873	-0.3116	0.1688	0.0175	-0.0383	0.1549	-0.0093	0.173	1.4636	11.2292	21.7838
15	2.1408	-0.8679	6.7884	5.758	10.3927	34.7786	0.1193	-0.2476	0.0908	0.3039	-0.6508	0.3796	0.3338	-1.4466	0.5315	0.2113	-0.0772	-0.0014	0.2342	0.0402	0.192	10.0436	19.4728	35.633
16	0.8633	-0.9285	6.8649	2.8128	-0.612	32.1095	-0.2139	0.1966	0.1213	-0.0473	0.2132	-1.1113	-1.4645	1.6418	0.0007	0.2698	-0.2654	-0.0251	0.4398	0.0765	0.4417	16.9091	22.2114	32.9787
17	8.8368	0.9102	-2.8817	8.9445	-0.3436	8.034	0.1566	0.7617	0.5571	-0.0646	-0.3911	-0.2198	-1.0349	0.0885	0.2345	0.2811	-0.0753	-0.0392	0.1272	0.0697	0.155	8.7389	22.8263	26.3445
18	6.7975	-5.7126	7.7379	7.3194	-8.1095	11.3492	-0.2357	0.2757	0.366	0.3444	-0.1098	-0.1392	-0.5761	0.2934	0.3455	0.1706	-0.0738	-0.0317	0.1269	-0.0091	0.1225	7.7352	18.2592	43.7485
19	1.8193	0.559	3.9402	1.4796	-0.0645	10.9851	-0.3065	0.0576	0.1278	0.0357	0.0691	-0.0467	-0.9339	0.2953	0.2374	0.1218	-0.0091	-0.019	0.0969	0.0167	0.1378	6.9835	18.6876	36.7977
20	30.3481	23.1017	-3.7003	33.3976	-7.7259	11.2064	-0.1139	0.8421	-0.3573	0.0062	-0.4372	-0.5685	-0.7051	-0.1445	0.5511	0.141	-0.0171	-0.0398	0.1298	0.0038	0.0661	-3.9487	13.1493	16.1419
21	2.3399	-2.5374	-3.9269	11.317	-3.7474	9.1345	-0.0894	-0.3695	0.1512	0.6424	-0.1189	-0.4057	-0.1233	0.3122	0.2083	0.2783	-0.0764	0.0685	0.271	-0.0527	0.2173	21.9754	30.2782	17.3925
22	4.0637	-1.5448	-1.075	7.0806	3.2786	7.6051	0.1294	-0.0608	0.0101	0.2489	-0.0621	-0.6444	0.8353	0.5542	-0.0673	0.2361	0.042	0.0624	0.1105	0.0776	0.1736	30.7499	30.1989	5.9704
23	13.9666	4.1541	8.2536	35.3337	3.1639	8.9672	0.3982	0.9197	-0.406	-0.5726	-0.6297	-0.4728	1.1135	0.9244	0.2314	0.4259	0.005	0.0702	0.226	-0.0026	0.1305	23.5066	27.0778	-3.099
24	1.8795	4.0124	-1.9729	6.912	-8.7817	15.8748	0.5445	-0.3298	-0.4524	0.0936	-0.1959	-0.2202	0.9138	-0.3723	-0.3486	0.3919	-0.0517	0.0193	0.1721	0.0008	0.4719	18.1506	33.6273	-6.7698
25	27.2538	-1.2079	12.6907	4.6689	-12.8603	17.6495	0.2705	0.3031	-0.6826	-0.3398	-0.7007	-0.5031	0.4496	1.0885	0.4303	0.3296	0.0701	0.1255	0.2311	0.1225	0.2678	29.6583	32.8159	-6.9929
26	18.6126	5.9852	-1.212	17.9848	14.3667	13.0916	-0.2303	0.3847	-0.2443	0.5356	0.9609	-0.9302	0.7602	1.1013	-0.7306	0.2969	0.2028	0.1479	0.4422	0.1497	0.1554	34.7204	31.93	-1.5492
27	29.4592	-19.9072	-11.3312	21.0933	11.7884	12.0157	1.2166	0.8352	1.2763	-1.047	-0.6838	-0.7625	-0.7845	0.9333	-0.5328	0.2334	-0.0376	0.1546	0.3266	0.0681	0.3571	35.4401	39.643	2.5379
28	1.4752	-2.4189	-11.415	20.6831	15.8862	17.4377	0.2106	-1.4579	0.8638	0.2085	1.0607	-0.6799	-0.1101	2.6717	-1.2713	0.1413	-0.0356	-0.0478	0.7452	-0.3376	0.8795	34.8615	45.962	9.6246
29	3.8684	-1.1704	-1.078	9.9822	2.9714	3.2431	0.0325	-0.0906	0.3231	-0.0812	-0.056	-0.5421	-0.1394	0.1547	0.0236	0.0894	-0.038	0.0263	0.1141	-0.0207	0.1904	26.4003	39.5347	10.1914
30	4.6708	-4.0347	0.5502	20.5513	-16.2662	15.9605	-0.1286	-0.1208	-0.2835	-0.6841	-0.4098	-0.101	1.346	0.7053	0.5383	0.3955	0.0089	0.1385	0.1448	0.0293	0.187	23.7704	22.8671	10.8838
31	0.6671	0.973	0.3287	17.1129	4.8223	2.5351	-0.0756	0.2074	0.1173	-0.5973	0.0538	-0.404	-0.1941	-0.0033	0.0217	0.0993	-0.0379	0.0354	0.1236	-0.0225	0.1266	21.8301	50.3601	7.9649
32	2.3347	6.5056	-0.8733	15.2087	-0.7749	7.9956	0.035	0.0012	0.0655	-0.6953	-0.0371	0.3892	0.2171	-0.4317	0.0021	0.4539	-0.0838	-0.016	0.0768	-0.0325	0.1782	16.6691	31.781	3.7528
33	34.4585	-13.2847	-12.9651	14.8249	0.817	7.4055	-0.0178	1.3532	-0.6364	-0.9482	-0.1953	0.4334	0.7802	-0.864	0.2131	0.4367	-0.1953	-0.0122	0.218	-0.0564	0.1945	13.1276	24.0543	6.5386
34	18.7272	4.7298	19.1229	43.5977	14.3572	14.445	0.7977	-0.9035	-0.2455	0.5613	-0.7254	0.5549	0.5712	-1.1279	-0.0723	0.1239	-0.0915	0.0185	0.2386	0.0674	0.3318	12.8759	32.4383	12.9967
35	3.9336	11.0557	3.5842	29.2538	9.0545	1.9361	0.1961	-0.1557	0.1007	0.6858	-0.2913	-0.0183	0.2258	-0.1048	0.0952	0.1636	-0.0031	-0.0343	0.1908	-0.0636	0.1977	19.3354	44.4166	17.1132
36	12.7231	2.3575	5.1418	26.1386	5.2855	0.597	-0.4414	0.9907	0.1589	-1.3405	0.459	-0.0019	-0.3935	0.3527	-0.0176	0.1181	-0.0459	0.0292	0.1676	-0.0096	0.1451	15.5615	51.6508	9.7529
37	5.9019	2.4664	5.9757	5.1686	1.1006	22.2602	-0.5147	0.192	-0.3158	-0.1216	0.2528	0.2522	0.855	-0.8198	0.2619	0.1709	-0.07	0.0545	0.2001	-0.0932	0.1555	8.247	41.0573	-2.3575
38	4.5842	-0.1823	0.7256	7.1957	1.8086	12.1016	-0.0972	-0.1532	-0.5981	-0.1259	0.3499	0.3656	1.0058	-1.2247	-0.2527	0.2234	-0.1895	0.0283	0.2726	0.0166	0.2524	6.806	39.2639	6.6662
39	6.3934	-2.2696	-6.3933	1.9653	1.6377	10.4353	-0.1612	0.1346	-0.2052	0.115	-0.0868	0.2242	0.3479	-0.4504	0.248	0.1341	-0.0471	0.0001	0.162	-0.0395	0.104	11.3211	45.8044	-8.3321
40	4.0433	2.8719	5.1866	4.8616	5.7225	9.5084	-0.0338	-0.3085	0.0435	0.0797	-0.2797	0.1685	0.1838	-0.7219	0.3135	0.0787	-0.0417	0.0327	0.1341	-0.015	0.1065	13.0486	52.2655	13.4911

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	2 - 6
2	X-RAY DIFFRACTION	2	A	7 - 16
3	X-RAY DIFFRACTION	3	A	17 - 26
4	X-RAY DIFFRACTION	4	A	27 - 35
5	X-RAY DIFFRACTION	5	A	36 - 43
6	X-RAY DIFFRACTION	6	A	44 - 53
7	X-RAY DIFFRACTION	7	A	54 - 63
8	X-RAY DIFFRACTION	8	A	64 - 74
9	X-RAY DIFFRACTION	9	A	75 - 80
10	X-RAY DIFFRACTION	10	A	81 - 90
11	X-RAY DIFFRACTION	11	A	91 - 107
12	X-RAY DIFFRACTION	12	A	108 - 115
13	X-RAY DIFFRACTION	13	A	116 - 125
14	X-RAY DIFFRACTION	14	A	126 - 133
15	X-RAY DIFFRACTION	15	A	134 - 139
16	X-RAY DIFFRACTION	16	A	140 - 148
17	X-RAY DIFFRACTION	17	A	149 - 155
18	X-RAY DIFFRACTION	18	A	156 - 166
19	X-RAY DIFFRACTION	19	A	167 - 179
20	X-RAY DIFFRACTION	20	A	180 - 184
21	X-RAY DIFFRACTION	21	B	2 - 13
22	X-RAY DIFFRACTION	22	B	14 - 26
23	X-RAY DIFFRACTION	23	B	27 - 31
24	X-RAY DIFFRACTION	24	B	32 - 41
25	X-RAY DIFFRACTION	25	B	42 - 46
26	X-RAY DIFFRACTION	26	B	47 - 52
27	X-RAY DIFFRACTION	27	B	53 - 58
28	X-RAY DIFFRACTION	28	B	59 - 64
29	X-RAY DIFFRACTION	29	B	65 - 73
30	X-RAY DIFFRACTION	30	B	74 - 82
31	X-RAY DIFFRACTION	31	B	83 - 99
32	X-RAY DIFFRACTION	32	B	100 - 105
33	X-RAY DIFFRACTION	33	B	106 - 110
34	X-RAY DIFFRACTION	34	B	111 - 116
35	X-RAY DIFFRACTION	35	B	117 - 129
36	X-RAY DIFFRACTION	36	B	130 - 134
37	X-RAY DIFFRACTION	37	B	135 - 140
38	X-RAY DIFFRACTION	38	B	141 - 154
39	X-RAY DIFFRACTION	39	B	155 - 172
40	X-RAY DIFFRACTION	40	B	173 - 184

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