PDB-4l5y: Methylthioadenosine phosphorylase from Schistosoma mansoni in APO form

ID or keywords:

Entry

Database: PDB / ID: 4l5y

Title

Methylthioadenosine phosphorylase from Schistosoma mansoni in APO form

Components

S-methyl-5'-thioadenosine phosphorylase

Keywords

TRANSFERASE / phosphorylase / Nucleoside phosphorylase / Enzyme

Function / homology

Function and homology information

S-methyl-5'-thioadenosine phosphorylase / S-methyl-5-thioadenosine phosphorylase activity / L-methionine salvage from methylthioadenosine / purine ribonucleoside salvage / nucleus / cytosol
Similarity search - Function

Biological species

Schistosoma mansoni (invertebrata)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.0957 Å

Authors

Torini, J.R. / DeMarco, R. / Brandao-Neto, J. / Pereira, H.M.

Citation

Journal: Plos Negl Trop Dis / Year: 2016
Title: Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
Authors: Torini, J.R. / Brandao-Neto, J. / DeMarco, R. / Pereira, H.D.

History

Deposition	Jun 11, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 11, 2014	Provider: repository / Type: Initial release
Revision 1.1	Oct 8, 2014	Group: Database references / Structure summary
Revision 1.2	Dec 21, 2016	Group: Database references
Revision 1.3	Feb 28, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / 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	4l5y.cif.gz	653.8 KB	Display	PDBx/mmCIF format
PDB format	pdb4l5y.ent.gz	542.5 KB	Display	PDB format
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Validation report

Summary document	4l5y_validation.pdf.gz	491.8 KB	Display	wwPDB validaton report
Full document	4l5y_full_validation.pdf.gz	500.3 KB	Display
Data in XML	4l5y_validation.xml.gz	64.1 KB	Display
Data in CIF	4l5y_validation.cif.gz	89.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/l5/4l5y ftp://data.pdbj.org/pub/pdb/validation_reports/l5/4l5y	HTTPS FTP

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Related structure data

Related structure data	4l5aC 4l5cC 4l6iC 5f73C 5f76C 5f77C 5f78C 5f7jC 5f7oC 5f7xC 5f7zC 5fakC C: citing same article (ref.)
Similar structure data	4l6i-2 5fak-2 4l6i-1 4l5a-1 5f7z-2 5fak-1 5f7o-d 5f7z-1 5f7j-2 5f77-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

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: S-methyl-5'-thioadenosine phosphorylase

B: S-methyl-5'-thioadenosine phosphorylase

C: S-methyl-5'-thioadenosine phosphorylase

D: S-methyl-5'-thioadenosine phosphorylase

E: S-methyl-5'-thioadenosine phosphorylase

F: S-methyl-5'-thioadenosine phosphorylase

hetero molecules

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

1

A: S-methyl-5'-thioadenosine phosphorylase

B: S-methyl-5'-thioadenosine phosphorylase

C: S-methyl-5'-thioadenosine phosphorylase

hetero molecules

defined by author&software
106 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

D: S-methyl-5'-thioadenosine phosphorylase

E: S-methyl-5'-thioadenosine phosphorylase

F: S-methyl-5'-thioadenosine phosphorylase

hetero molecules

defined by author&software
106 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	80.626, 82.400, 150.286
Angle α, β, γ (deg.)	90.000, 101.600, 90.000
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	S-methyl-5'-thioadenosine phosphorylase / 5'-methylthioadenosine phosphorylase Mass: 35259.480 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Schistosoma mansoni (invertebrata) / Strain: BH / Gene: SmMTAP / Plasmid: pET28a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: I0B503, S-methyl-5'-thioadenosine phosphorylase
#2: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: PO₄
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 772 / 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: 2.31 Å³/Da / Density % sol: 46.79 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 100mM Bris-tris or Mes, 14-18% PEG3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

LNLS

/ Beamline: W01B-MX2 / Wavelength: 1.459 Å

Detector

Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Jun 24, 2010 / Details: DCM

Radiation

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

Radiation wavelength

Wavelength: 1.459 Å / Relative weight: 1

Reflection

Resolution: 2.0957→20 Å / Num. all: 113400 / Num. obs: 111617 / % possible obs: 98.4 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / B_iso Wilson estimate: 35.353 Å² / R_merge(I) obs: 0.102 / Net I/σ(I): 10.16

Reflection shell

Resolution (Å)	R_merge(I) obs	Mean I/σ(I) obs	Num. measured obs	Num. unique obs	Diffraction-ID	% possible all
2.0957-2.22	0.626	2.35	67754	17346	1	95.9
2.22-2.37	0.431	3.37	67607	16639	1	98.2
2.37-2.56	0.311	4.56	65149	15666	1	98.6
2.56-2.8	0.2	6.71	60271	14435	1	99
2.8-3.12	0.13	9.66	55280	13201	1	99.3
3.12-3.59	0.08	15.22	49048	11712	1	99.6
3.59-4.36	0.053	22.95	41558	9968	1	99.6
4.36-6.03	0.045	25.84	32804	7880	1	99.8
6.03-20	0.04	27.32	19651	4770	1	96.5

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHENIX	1.8.2_1309	refinement
PDB_EXTRACT	3.11	data extraction
MAR345dtb		data collection
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.0957→19.933 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.8368 / SU ML: 0.25 / σ(F): 1.99 / Phase error: 23.69 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2266	5581	5 %	Random
R_work	0.1837	-	-	-
all	0.1858	113400	-	-
obs	0.1858	111591	98.56 %	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso max: 107.85 Å² / B_iso mean: 34.2194 Å² / B_iso min: 12.45 Å²

Refinement step

Cycle: LAST / Resolution: 2.0957→19.933 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12650	0	30	772	13452

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	12921
X-RAY DIFFRACTION	f_angle_d	0.792	17557
X-RAY DIFFRACTION	f_chiral_restr	0.049	2052
X-RAY DIFFRACTION	f_plane_restr	0.004	2263
X-RAY DIFFRACTION	f_dihedral_angle_d	11.302	4599

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.0957-2.1195	0.303	165	0.2663	3143	3308	88
2.1195-2.1444	0.3188	182	0.2601	3461	3643	98
2.1444-2.1706	0.2868	186	0.2496	3523	3709	98
2.1706-2.198	0.2972	181	0.2362	3440	3621	98
2.198-2.2269	0.25	186	0.2233	3542	3728	98
2.2269-2.2574	0.2672	184	0.2322	3497	3681	98
2.2574-2.2896	0.3104	185	0.2286	3519	3704	98
2.2896-2.3237	0.2567	184	0.2188	3495	3679	98
2.3237-2.3599	0.2604	185	0.2131	3512	3697	98
2.3599-2.3986	0.2723	184	0.2173	3498	3682	98
2.3986-2.4399	0.2914	185	0.219	3511	3696	99
2.4399-2.4841	0.2617	186	0.2081	3536	3722	99
2.4841-2.5318	0.243	185	0.1965	3511	3696	99
2.5318-2.5834	0.2397	187	0.1979	3542	3729	99
2.5834-2.6395	0.2848	186	0.2017	3550	3736	99
2.6395-2.7007	0.248	186	0.2008	3522	3708	99
2.7007-2.7681	0.2424	186	0.1913	3536	3722	99
2.7681-2.8427	0.2779	188	0.1891	3574	3762	99
2.8427-2.9261	0.2313	187	0.1967	3558	3745	99
2.9261-3.0203	0.2662	188	0.193	3560	3748	99
3.0203-3.1278	0.2314	187	0.1979	3553	3740	99
3.1278-3.2525	0.2425	188	0.1932	3570	3758	100
3.2525-3.3999	0.2221	188	0.1858	3587	3775	100
3.3999-3.5781	0.2109	188	0.1781	3569	3757	99
3.5781-3.8009	0.2109	189	0.1627	3578	3767	99
3.8009-4.092	0.1822	189	0.1532	3602	3791	100
4.092-4.4995	0.1786	190	0.138	3602	3792	100
4.4995-5.1408	0.1556	190	0.1337	3610	3800	100
5.1408-6.4404	0.1787	190	0.167	3623	3813	100
6.4404-19.934	0.2016	196	0.1609	3686	3882	99

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	1.9434	-0.9636	-1.2043	2.5097	1.9633	1.7692	0.4068	0.8975	0.1214	-0.6159	-0.3865	-0.4997	0.014	0.4484	-0.0227	0.3281	0.1089	0.0986	0.4137	0.0395	0.4593	41.5536	-21.9816	-0.3544
2	1.6994	0.2007	-0.2511	1.3733	-0.1031	1.5595	0.0221	-0.0267	-0.0877	-0.012	-0.0976	-0.2357	-0.0274	0.1315	0.062	0.1389	-0.014	-0.0016	0.1363	0.008	0.2205	33.5536	-14.3241	11.4992
3	7.0923	-1.7168	2.2958	4.3264	-1.4125	5.0885	-0.1746	1.0941	0.3831	-0.3313	-0.2681	-0.4532	-0.4434	0.4463	0.3774	0.2866	-0.0807	0.0502	0.3263	0.0016	0.3154	41.8271	-8.2762	0.3135
4	7.0225	2.5642	-2.1814	2.8514	-0.9997	3.0777	-0.166	-0.6839	-0.6271	0.3541	-0.1359	-0.6327	0.3439	0.6035	0.2945	0.3551	0.0749	-0.0954	0.383	0.1448	0.4707	42.4665	-27.0705	24.3945
5	0.5498	0.5424	-1.3573	3.2033	-1.1805	3.3594	-0.2105	-0.2378	-0.7962	0.1741	-0.2552	-0.1306	0.521	0.2077	0.4555	0.3783	-0.062	0.0653	0.3108	0.0736	0.3674	11.3912	-35.5321	43.8968
6	1.6261	0.1346	-1.1089	1.0984	-0.3797	2.452	-0.0679	-0.0779	-0.3454	0.0522	-0.1175	0.0578	0.3402	-0.1786	0.1837	0.2713	-0.0735	0.0241	0.1922	0.008	0.2457	10.2933	-32.9078	35.7107
7	1.8727	-0.185	-0.6156	1.388	-0.6617	2.2614	0.1419	-0.1286	-0.0061	0.3022	-0.2241	0.1189	-0.1519	-0.0564	0.0423	0.2583	-0.065	0.0308	0.1867	-0.0153	0.1855	10.0334	-17.7644	35.7291
8	6.5981	-2.4447	1.2785	8.9714	-3.0356	7.3295	0.2004	-0.6017	0.8174	0.5753	-0.2076	-0.1986	-1.3401	0.1629	0.0691	0.6408	-0.1884	0.0754	0.4474	-0.077	0.3908	17.5095	-7.8175	51.6977
9	1.4572	-0.3807	-0.3011	0.8631	-0.5103	2.2305	0.2129	-0.2773	0.1963	0.2216	-0.1544	-0.1587	-0.3723	0.1523	-0.0554	0.2646	-0.0926	-0.0084	0.223	0.006	0.2062	22.2313	-12.5243	34.5985
10	1.6154	-0.3027	1.1542	2.4671	0.2357	3.0164	-0.1119	0.075	-0.0222	0.008	-0.0141	-0.1858	-0.0481	0.2143	0.128	0.2413	-0.0548	0.0254	0.2809	0.0283	0.2077	13.1127	-21.2008	36.705
11	5.5122	-0.3484	-1.6032	1.9958	-0.1113	2.9596	0.0812	-0.7755	-0.2475	0.361	-0.2425	-0.2964	0.0082	0.7759	0.1896	0.3929	-0.1187	-0.0616	0.4581	0.1379	0.2709	22.0902	-25.6037	48.4078
12	1.6037	-0.0612	0.1306	1.5216	-1.0582	6.942	0.1367	0.0491	-0.0539	0.1223	-0.0122	0.3619	0.085	-1.189	-0.1601	0.3048	-0.0764	0.1089	0.5046	-0.0625	0.4587	-6.4426	-21.0007	37.5153
13	1.4881	-0.5542	2.0429	0.8619	-0.4177	2.9857	0.2802	0.4194	-0.229	-0.2419	-0.1403	0.325	0.3041	-1.1826	-0.1254	0.311	0.1249	-0.0597	0.8266	-0.1217	0.3678	-11.0638	-9.4636	2.5848
14	0.7693	0.0069	-0.187	0.8422	0.2628	0.1293	0.0504	0.5391	-0.1498	-0.3743	-0.2246	0.4056	-0.1882	-0.4942	-0.0126	0.2695	0.0529	-0.1672	0.8018	-0.2463	0.3102	-7.948	-15.6383	-1.9535
15	1.1889	-0.4106	-0.4767	1.9701	-0.0183	2.4297	0.1283	0.4363	-0.2436	-0.113	-0.161	0.1427	-0.0153	-0.4568	0.0299	0.2024	0.0279	-0.0376	0.4209	-0.1026	0.2795	-1.4245	-14.2388	5.5535
16	2.459	-0.6807	-1.3801	1.5335	0.6887	2.1883	0.148	0.2006	-0.0594	-0.0229	-0.1358	-0.1008	-0.1226	-0.3248	-0.0147	0.1773	0.0572	-0.0485	0.2334	-0.0089	0.1813	8.8047	-7.9194	9.3179
17	1.0434	-0.2633	-0.2679	1.4623	-0.0881	0.9285	0.0969	0.1616	0.14	0.0289	-0.1676	0.0285	-0.3367	-0.3108	0.0466	0.2801	0.1029	-0.0169	0.3084	-0.0167	0.1988	1.8542	2.4123	16.1301
18	4.0353	-1.3011	-2.5183	3.0007	2.2011	2.3218	-0.1054	0.0909	0.0307	0.1503	-0.1062	0.2494	-0.1054	-0.2876	0.2303	0.1941	0.0954	-0.0329	0.3165	-0.033	0.2084	1.6332	-6.012	9.1401
19	1.5347	0.3818	-1.845	2.2323	-0.7271	8.0632	0.1406	0.3728	-0.0462	0.0641	-0.3212	0.3784	-0.0107	-0.5926	0.0605	0.2861	0.1786	-0.0166	0.536	-0.0972	0.3278	-12.9932	-0.8528	12.6513
20	7.7304	-4.6125	0.866	6.1449	-0.8715	1.9859	0.2769	0.786	0.1676	-0.8053	-0.2997	-0.0416	-0.2223	-0.3341	0.0453	0.4091	0.0698	0.0021	0.4284	-0.0077	0.1999	10.522	-4.536	-8.5626
21	3.9454	-0.0289	-0.3677	1.5893	-1.4896	1.4883	0.1864	-0.3676	0.1474	0.4964	-0.0825	0.5403	-0.0916	-0.1205	-0.0244	0.394	-0.0641	0.1383	0.2281	0.0002	0.4942	26.8743	-63.7998	72.4446
22	1.8242	0.1271	-0.2255	1.395	-0.0058	1.3065	-0.0181	0.0975	-0.2006	-0.0275	-0.0217	0.1199	-0.0065	-0.1312	0.0427	0.201	0.0182	0.0277	0.1502	0.0077	0.2448	32.702	-52.2347	61.8588
23	1.9658	-0.9166	0.3738	1.6247	0.446	2.6896	-0.2669	-0.3001	0.226	0.0504	0.1969	-0.4012	-0.439	0.2561	0.0301	0.3553	0.0395	0.0518	0.2835	0.0138	0.4352	35.8066	-43.3224	65.9977
24	5.1948	1.0272	2.9647	2.1846	1.4795	5.1968	-0.2881	-0.83	0.254	0.1326	-0.0425	0.3261	-0.2822	-0.4762	0.2984	0.3222	0.0852	0.0903	0.3969	0.0185	0.4305	22.681	-47.2684	72.0323
25	6.9566	-1.0126	-2.7443	1.5645	0.2125	3.5703	-0.2523	0.6345	-0.8501	-0.3674	0.1543	0.5507	0.3271	-0.7227	0.0894	0.3183	-0.1183	-0.0855	0.4954	-0.081	0.5014	20.4492	-63.1459	50.5013
26	6.7554	2.224	-2.405	2	-0.3177	0.8803	-0.1289	0.951	-0.8354	-1.0948	-0.0438	0.3737	0.826	-0.4785	0.1453	1.1374	-0.094	-0.2934	0.565	-0.2393	0.9102	34.5667	-72.2978	43.1965
27	0.4228	-1.3373	-0.7806	4.2505	2.2396	3.6896	-0.0377	0.7097	-0.5901	-0.1049	-0.1497	0.6557	0.3636	-0.4001	0.1744	0.2842	0.0241	-0.0492	0.3687	-0.0911	0.3725	54.0314	-74.2721	30.721
28	0.4346	0.0256	0.9209	1.9505	2.6099	5.2992	-0.0634	0.1016	-0.5496	0.1214	-0.1278	-0.0474	1.034	0.1047	0.12	0.5094	0.0251	0.0666	0.2537	-0.0226	0.4508	57.7455	-79.8821	43.5196
29	1.3709	-0.4154	-0.7296	0.8893	0.2306	2.4362	-0.027	0.1629	-0.272	-0.0249	-0.0574	0.0742	0.3215	-0.039	0.0804	0.2723	0.036	0.0377	0.1946	-0.0411	0.3056	55.8797	-72.0754	37.911
30	1.8385	0.1559	-0.1391	0.9041	0.6568	1.9766	0.006	0.1993	0.0556	-0.0035	-0.0691	0.0756	-0.3824	-0.294	0.0551	0.2995	0.0618	0.0567	0.2243	-0.0121	0.2413	51.25	-56.3717	41.5291
31	1.7576	-1.4691	1.764	2.0361	-0.1738	3.8639	-0.0967	0.0028	0.054	0.0142	0.0643	-0.101	0.235	-0.1207	-0.0482	0.2234	-0.0142	0.0807	0.2482	0.0093	0.2291	66.0428	-61.42	48.7754
32	2.0696	-0.2532	-0.1373	1.3787	0.5325	2.0349	0.019	0.3683	-0.1166	-0.5871	-0.1868	-0.0337	-0.5633	-0.1565	0.1233	0.4017	0.1256	0.0725	0.2961	0.0206	0.2263	59.0916	-57.6421	24.5877
33	4.3123	-0.1279	0.7379	2.7278	-0.1563	3.2051	0.0876	0.6511	0.7914	-0.5143	-0.0615	0.1763	-1.0603	-0.3638	0.04	0.5798	0.1987	0.0281	0.4062	0.0555	0.3422	48.8827	-49.1833	23.7275
34	1.5639	0.3612	-0.8059	1.0957	0.1685	2.3031	0.0916	0.1449	0.1036	-0.0454	-0.126	0.0557	-0.2425	-0.2298	0.0456	0.2857	0.0883	0.0249	0.25	-0.005	0.2322	44.7107	-53.0561	45.1174
35	0.6004	0.2197	0.1597	1.9005	-0.1228	2.2465	-0.0456	0.1138	0.1055	0.1536	-0.0631	0.2947	-0.1606	-0.3053	0.0859	0.2618	0.0517	0.0271	0.2427	-0.0425	0.249	52.4637	-61.1922	38.2334
36	9.1005	-0.5715	-1.5351	2.1581	0.1968	3.242	0.2891	0.485	-0.2654	-0.2375	-0.2486	0.2831	0.0878	-0.6857	-0.002	0.3598	0.0974	-0.0083	0.418	-0.0915	0.2703	44.3542	-65.2672	26.1502
37	1.9819	-0.0432	1.6169	1.6124	1.1707	9.4172	0.0437	0.1831	-0.0994	-0.1529	0.0758	-0.2543	-0.0257	0.6966	-0.148	0.239	0.0571	0.0591	0.2672	0.0135	0.2751	73.2773	-62.153	37.9414
38	0.542	-0.2465	0.3113	2.0198	0.4435	1.6531	0.0234	-0.3222	-0.2943	0.2237	-0.0945	-0.178	0.1336	0.6392	0.0598	0.2457	0.003	-0.0057	0.3582	0.0565	0.283	74.3802	-55.9646	74.0458
39	0.9387	0.0155	0.4216	4.6428	3.2208	4.4526	0.112	-0.4145	0.0009	0.5335	0.0753	-0.4763	0.1361	0.154	-0.1885	0.3083	-0.0514	-0.0405	0.5304	-0.0001	0.287	77.568	-51.1877	78.5025
40	1.1419	-0.2133	0.0331	1.7586	0.4884	1.823	0.0243	-0.167	-0.1602	0.1236	0.0161	0.0134	-0.0233	0.0357	-0.017	0.2288	-0.0074	0.0286	0.1857	0.0261	0.2445	67.6131	-55.0889	69.5415
41	2.3138	0.093	-0.8641	1.7884	-0.078	2.1184	-0.0101	-0.0784	-0.0981	-0.0642	0.0259	0.2173	-0.0341	-0.0022	-0.0335	0.2445	-0.0001	0.0282	0.1332	-0.0095	0.2459	57.6536	-48.1895	65.8252
42	3.2021	0.3428	-0.9684	1.5466	0.0696	1.654	0.026	-0.1326	0.4031	0.1225	-0.018	-0.1709	-0.3088	0.2617	-0.0207	0.3883	-0.0779	0.0551	0.1908	-0.0458	0.2508	70.8347	-34.201	71.9701
43	3.4705	-3.3205	2.1602	4.5905	-0.2294	3.7304	0.0442	0.2421	0.743	-0.1197	-0.2128	-0.2777	-0.5313	-0.0016	0.1185	0.4524	-0.0866	0.0928	0.3115	-0.0047	0.3693	68.9932	-27.1765	61.1379
44	4.496	2.3041	-0.2091	3.5423	0.7744	1.5879	0.1106	-0.039	0.5981	-0.2734	-0.0724	0.2532	-0.4457	0.1817	-0.0822	0.386	-0.039	0.0442	0.2075	0.012	0.2603	67.547	-34.8376	57.9765
45	3.9666	-1.3275	-0.5718	3.2068	1.7602	2.5926	0.0747	0.3373	0.0814	-0.0747	-0.3502	-0.0542	-0.2909	-0.0523	0.2247	0.3001	0.0029	-0.0117	0.1695	0.0159	0.2275	59.1514	-48.212	47.88
46	0.8294	-0.9433	0.0226	2.9124	-0.6616	1.6174	-0.029	-0.092	-0.0116	-0.0545	0.0965	0.1708	-0.1842	0.0409	-0.0522	0.2708	-0.0068	0.0275	0.1719	0.007	0.2393	60.901	-45.9042	58.2503
47	3.5137	0.9353	-2.2951	2.7196	-1.8712	2.5538	0.0121	0.132	-0.0854	-0.121	0.0987	-0.0502	-0.177	-0.033	-0.0654	0.2724	-0.0468	0.0229	0.1784	-0.0212	0.2147	64.9266	-46.8161	66.127
48	3.0027	-1.0821	-2.8745	2.1356	1.5831	2.9347	-0.0752	0.0285	-0.0765	-0.2115	0.0643	-0.2457	-0.0886	0.3671	-0.0247	0.3352	-0.1448	0.0375	0.2795	-0.0041	0.2904	79.822	-42.6198	62.0807
49	7.1177	2.8693	1.1884	3.9668	0.9891	2.287	-0.0241	-0.4341	-0.2045	0.5583	0.07	0.1948	0.0574	-0.1767	-0.0495	0.5369	0.0272	0.1355	0.2452	0.0322	0.2674	56.5562	-44.4996	83.8298

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 3 through 26 )	A
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 27 through 230 )	A
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 242 through 270 )	A
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 271 through 291 )	A
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 2 through 26 )	B
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 27 through 90 )	B
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 91 through 153 )	B
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 154 through 164 )	B
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 165 through 210 )	B
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 211 through 232 )	B
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 241 through 269 )	B
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 270 through 291 )	B
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 3 through 23 )	C
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 24 through 53 )	C
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 54 through 89 )	C
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 90 through 139 )	C
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 140 through 210 )	C
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 211 through 232 )	C
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 242 through 269 )	C
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 270 through 292 )	C
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 3 through 38 )	D
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 39 through 220 )	D
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 221 through 235 )	D
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 245 through 270 )	D
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 271 through 287 )	D
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 288 through 292 )	D
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 3 through 23 )	E
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 24 through 38 )	E
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 39 through 89 )	E
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 90 through 120 )	E
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 121 through 139 )	E
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 140 through 152 )	E
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 153 through 177 )	E
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 178 through 210 )	E
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 211 through 234 )	E
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 240 through 269 )	E
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 270 through 290 )	E
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 3 through 38 )	F
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 39 through 53 )	F
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 54 through 90 )	F
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 91 through 139 )	F
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 140 through 153 )	F
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 154 through 164 )	F
44	X-RAY DIFFRACTION	44	chain 'F' and (resid 165 through 182 )	F
45	X-RAY DIFFRACTION	45	chain 'F' and (resid 183 through 198 )	F
46	X-RAY DIFFRACTION	46	chain 'F' and (resid 199 through 210 )	F
47	X-RAY DIFFRACTION	47	chain 'F' and (resid 211 through 232 )	F
48	X-RAY DIFFRACTION	48	chain 'F' and (resid 241 through 269 )	F
49	X-RAY DIFFRACTION	49	chain 'F' and (resid 270 through 291 )	F

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