PDB-4l5c: Methylthioadenosine phosphorylase from Schistosoma mansoni in com...

ID or keywords:

Entry

Database: PDB / ID: 4l5c

Title

Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with adenine in space group P212121

Components

S-methyl-5'-thioadenosine phosphorylase

Keywords

TRANSFERASE / phsophorylase / 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 /

molecular replacement / Resolution: 2.075 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 10, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 11, 2014	Provider: repository / Type: Initial release
Revision 1.1	Dec 21, 2016	Group: Database references
Revision 1.2	Sep 20, 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	4l5c.cif.gz	691.4 KB	Display	PDBx/mmCIF format
PDB format	pdb4l5c.ent.gz	572.4 KB	Display	PDB format
PDBx/mmJSON format	4l5c.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	4l5c_validation.pdf.gz	511.8 KB	Display	wwPDB validaton report
Full document	4l5c_full_validation.pdf.gz	520.5 KB	Display
Data in XML	4l5c_validation.xml.gz	73.4 KB	Display
Data in CIF	4l5c_validation.cif.gz	104.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/l5/4l5c ftp://data.pdbj.org/pub/pdb/validation_reports/l5/4l5c	HTTPS FTP

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Related structure data

Related structure data	4l5aC 4l5yC 4l6iC 5f73C 5f76C 5f77C 5f78C 5f7jC 5f7oC 5f7xC 5f7zC 5fakC 4ljiS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	5fak-2 5fak-1 4l6i-1 5f7j-2 4l6i-2 4l5y-1 5f76-d 4l5y-2 5f7x-d 4l5a-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

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#210 - Jun 2017 Adenine Riboswitch in Action similarity (1) #130 - Oct 2010 Riboswitches similarity (1) #156 - Dec 2012 ABO Blood Type Glycosyltransferases similarity (1)

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

213 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)	102.580, 135.710, 145.050
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	S-methyl-5'-thioadenosine phosphorylase / 5'-methylthioadenosine phosphorylase Mass: 35259.480 Da / Num. of mol.: 6 / Fragment: SmMTAP 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-ADE / ADENINE Mass: 135.127 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₅H₅N₅
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1290 / 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: 2.39 Å³/Da / Density % sol: 48.45 %
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:

Diamond

/ Beamline: I02 / Wavelength: 0.9795 Å

Detector

Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jul 7, 2011 / Details: DCM

Radiation

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

Radiation wavelength

Wavelength: 0.9795 Å / Relative weight: 1

Reflection

Resolution: 2.075→59.219 Å / Num. all: 122620 / Num. obs: 122620 / % possible obs: 99.8 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 7.2 % / R_sym value: 0.119 / Net I/σ(I): 9.8

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	Num. measured all	Num. unique all	R_sym value	% possible all
2.075-2.13	7.3	0.695	1.1	65934	8987	0.695	99.6
2.13-2.19	7.3	0.614	1.2	63686	8690	0.614	99.8
2.19-2.25	7.3	0.49	1.5	62185	8507	0.49	99.7
2.25-2.32	7.3	0.409	1.8	60307	8267	0.409	99.7
2.32-2.4	7.3	0.333	2.2	58443	8039	0.333	99.8
2.4-2.48	7.3	0.285	2.6	56467	7750	0.285	99.9
2.48-2.57	7.3	0.24	3	54711	7532	0.24	100
2.57-2.68	7.3	0.194	3.7	52245	7201	0.194	99.9
2.68-2.8	7.2	0.163	4.3	50488	6993	0.163	100
2.8-2.93	7.2	0.137	5	47931	6642	0.137	99.9
2.93-3.09	7.2	0.117	5.7	45212	6304	0.117	100
3.09-3.28	7.1	0.1	6.5	42901	6016	0.1	99.9
3.28-3.51	7.1	0.085	7.1	39790	5636	0.085	100
3.51-3.79	7	0.076	7.5	36966	5316	0.076	99.9
3.79-4.15	6.9	0.068	8	33538	4858	0.068	100
4.15-4.64	6.9	0.063	8.5	30429	4424	0.063	99.9
4.64-5.36	6.8	0.062	8.6	26713	3932	0.062	99.9
5.36-6.56	7	0.058	10.2	23658	3356	0.058	100
6.56-9.28	7.1	0.049	11.7	18744	2642	0.049	99.9
9.28-59.219	6.6	0.041	13.4	10016	1528	0.041	99.1

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
SCALA	3.3.16	data scaling
PHASER		phasing
PHENIX	1.8.2_1309	refinement
PDB_EXTRACT	3.11	data extraction
GDA		data collection
xia2		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4LJI

4lji

Resolution: 2.075→59.219 Å / Occupancy max: 1 / Occupancy min: 0 / FOM work R set: 0.786 / SU ML: 0.23 / σ(F): 1.34 / Phase error: 27.14 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2218	6153	5.02 %	Random
R_work	0.1911	-	-	-
all	0.1926	122620	-	-
obs	0.1926	122450	99.78 %	-

Solvent computation

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

Displacement parameters

B_iso max: 130.83 Å² / B_iso mean: 26.6766 Å² / B_iso min: 7.64 Å²

Refinement step

Cycle: LAST / Resolution: 2.075→59.219 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13260	0	96	1290	14646

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	13625
X-RAY DIFFRACTION	f_angle_d	0.683	18462
X-RAY DIFFRACTION	f_chiral_restr	0.043	2121
X-RAY DIFFRACTION	f_plane_restr	0.003	2357
X-RAY DIFFRACTION	f_dihedral_angle_d	11.674	4932

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 (%)
2.075-2.0986	0.2944	215	0.2545	3849	4064	100
2.0986-2.1233	0.3207	207	0.251	3769	3976	100
2.1233-2.1492	0.2894	212	0.2519	3866	4078	100
2.1492-2.1764	0.2891	219	0.2451	3802	4021	100
2.1764-2.205	0.2899	210	0.2379	3815	4025	100
2.205-2.2352	0.2559	192	0.2144	3856	4048	100
2.2352-2.2672	0.2589	180	0.2125	3870	4050	100
2.2672-2.301	0.2446	223	0.2097	3827	4050	100
2.301-2.337	0.2586	197	0.2192	3838	4035	100
2.337-2.3753	0.2623	222	0.2184	3805	4027	100
2.3753-2.4162	0.2631	217	0.208	3829	4046	100
2.4162-2.4602	0.2628	199	0.2137	3866	4065	100
2.4602-2.5075	0.2522	189	0.2082	3860	4049	100
2.5075-2.5587	0.2487	202	0.206	3856	4058	100
2.5587-2.6143	0.2484	202	0.2127	3897	4099	100
2.6143-2.6751	0.2405	190	0.2071	3830	4020	100
2.6751-2.742	0.2305	185	0.19	3871	4056	100
2.742-2.8162	0.2527	198	0.1999	3871	4069	100
2.8162-2.899	0.2445	237	0.1983	3865	4102	100
2.899-2.9926	0.2239	187	0.2019	3876	4063	100
2.9926-3.0996	0.2234	206	0.202	3898	4104	100
3.0996-3.2237	0.2318	201	0.1977	3891	4092	100
3.2237-3.3704	0.2291	174	0.1899	3907	4081	100
3.3704-3.548	0.2071	203	0.1893	3934	4137	100
3.548-3.7703	0.2006	211	0.1736	3900	4111	100
3.7703-4.0613	0.1987	203	0.165	3911	4114	100
4.0613-4.4699	0.178	209	0.1446	3936	4145	100
4.4699-5.1164	0.1463	232	0.1453	3921	4153	100
5.1164-6.4449	0.1991	216	0.1712	3996	4212	100
6.4449-59.2432	0.1779	215	0.1784	4085	4300	98

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	0.7338	0.036	0.0416	0.6769	-0.1556	0.4813	-0.0708	0.0828	-0.0977	0.0458	-0.0023	0.2556	0.0723	-0.1611	0.0689	0.1284	-0.0157	0.0168	0.1465	-0.0091	0.2094	-12.923	34.6359	-36.9632
2	0.5751	0.4952	0.1028	0.8484	0.162	0.6697	-0.0159	0.0171	-0.0322	0.1198	0.0418	-0.0771	0.0993	0.0875	-0.0295	0.1179	0.0245	-0.0084	0.1099	0.007	0.1015	6.1671	35.3711	-33.7744
3	0.7842	0.1998	0.4352	1.6138	-0.091	0.4462	-0.1366	0.0049	-0.0876	0.0012	0.0832	-0.095	0.1697	0.1446	0.0097	0.113	-0.008	-0.0217	0.0689	-0.0126	0.1169	4.7094	35.4658	-39.2919
4	0.5063	0.2859	0.0114	1.2582	0.0823	0.3068	0.0101	-0.0669	-0.084	0.1801	-0.0036	0.1605	0.1742	-0.0251	0.03	0.1465	0.009	0.0189	0.1381	0.023	0.1515	-4.7713	30.2363	-30.527
5	0.8356	0.3593	-0.2958	0.1927	-0.0741	1.4956	-0.2252	0.2575	0.392	-0.3455	0.0658	0.2107	-0.4336	0.0178	-0.1308	0.3631	-0.0985	-0.0947	0.2238	0.0993	0.193	6.6978	67.7455	-65.0859
6	0.6579	-0.005	-0.0257	0.3696	0.3563	0.8412	-0.1752	0.1334	0.1806	-0.1704	0.0682	0.1148	-0.1269	-0.0129	0.0401	0.1808	-0.0421	-0.0737	0.1539	0.0472	0.1357	6.3583	63.4329	-56.1617
7	1.0083	0.5197	0.0893	1.2199	0.1447	0.6235	-0.1108	0.0816	-0.0173	-0.1415	0.0802	0.003	-0.0786	0.038	0.0032	0.1367	0.0008	0.0042	0.1344	0.0074	0.0749	10.6947	53.0163	-50.2712
8	0.5334	0.2144	-0.0872	0.4682	-0.0541	0.5962	-0.1037	0.0802	0.0561	-0.1637	0.0911	-0.1227	0.0893	0.0853	0.0182	0.1595	-0.0193	0.0219	0.1812	-0.0016	0.1104	24.607	56.8644	-51.0448
9	0.7677	-0.2976	-0.3223	0.9425	-0.3721	0.6777	-0.0396	0.0178	-0.0371	-0.077	0.1084	-0.2008	-0.0824	0.1096	0.0122	0.1025	-0.0366	0.0249	0.1218	0.0245	0.0862	18.4998	60.6396	-49.0121
10	0.4077	-0.247	-0.2268	0.1737	-0.1131	0.9478	-0.1665	0.2446	0.1899	-0.3621	0.1393	0.0351	-0.1221	0.0816	-0.0334	0.2674	-0.0967	0.0044	0.238	0.0504	0.0364	14.573	57.8033	-62.0173
11	0.3664	-0.191	0.4806	2.223	0.2138	1.1298	-0.019	-0.2344	0.0878	0.5301	0.0545	0.2959	0.0936	-0.3206	0.0252	0.3767	0.0404	-0.0358	0.2357	-0.0768	0.2754	3.0422	72.5248	-11.3938
12	0.6185	-0.1329	-1.3027	0.3586	0.4717	2.8718	-0.0645	0.0004	0.1003	0.0357	0.0862	0.2033	-0.0778	-0.4135	0.0387	0.1252	0.0468	-0.0164	0.1734	-0.0158	0.1775	-6.1491	75.0314	-22.7861
13	0.4742	-0.0611	0.0974	0.8721	0.1448	0.1951	-0.0523	-0.1724	0.097	0.2117	0.0641	0.0942	-0.0919	-0.0674	0.0289	0.1854	0.0175	0.0144	0.1413	-0.0355	0.1418	2.2259	70.8772	-19.3597
14	0.6654	-0.0219	0.0964	1.3233	-0.4842	1.1415	0.0063	-0.0054	0.0506	-0.0195	0.0181	0.0553	0.0518	0.084	-0.0234	0.1084	0.0034	-0.023	0.1268	-0.0308	0.0958	11.3562	63.6704	-28.86
15	0.3932	0.2472	-0.0579	0.6893	0.3339	0.69	0.013	-0.0457	0.0545	0.2039	0.0946	-0.2035	0.0669	0.2174	-0.0439	0.1536	0.0241	-0.0736	0.1881	-0.0472	0.1558	18.488	57.756	-17.6654
16	1.0362	-0.0514	-0.0462	0.3404	0.4639	0.7188	0.0324	-0.1414	-0.0133	0.1605	-0.0812	-0.2101	0.147	0.0573	-0.0197	0.1489	-0.0091	-0.0197	0.1199	-0.0234	0.0794	11.3398	57.6105	-19.7314
17	0.6807	-0.0534	0.318	0.8002	0.4713	0.7127	-0.0197	-0.1643	0.1686	0.1636	0.0113	0.0177	-0.144	0.1374	0.0087	0.1846	-0.0066	-0.0194	0.1608	-0.0702	0.1839	12.354	71.5539	-18.6425
18	0.8521	0.0346	-0.0495	0.6533	0.2055	0.3812	-0.1041	0.0497	0.1459	-0.0134	0.067	-0.2842	-0.0959	0.1134	0.0308	0.1297	-0.0096	-0.0047	0.1711	0.0049	0.2805	64.1048	35.6351	-36.9257
19	0.568	0.6658	-0.1697	0.9908	-0.1716	0.6869	0.0167	0.0192	0.1174	0.2212	0.1053	0.1539	-0.0612	-0.0449	-0.0621	0.1685	0.0348	0.0454	0.1398	0.0008	0.2254	46.4315	36.8833	-31.2262
20	0.8621	0.3785	-0.2253	1.4555	-0.003	0.4818	-0.0376	0.082	0.1275	0.1054	0.0941	0.0906	-0.027	0.0344	-0.0608	0.1293	0.0242	0.02	0.1181	0.0048	0.2097	49.2425	35.5375	-35.7576
21	1.0282	-0.3762	0.0311	0.4416	-0.1988	0.5688	-0.0949	-0.3777	0.0503	0.5983	-0.0554	-0.2659	-0.2379	0.2246	0.039	0.4826	0.0183	0.0135	0.329	0.1436	0.3689	48.873	-3.8377	-12.2573
22	0.338	-0.1902	0.2907	0.2944	0.0388	1.367	-0.0351	-0.1726	-0.2535	0.2335	0.0094	-0.0208	0.1293	0.1136	0.0085	0.2394	0.0605	0.0282	0.2309	0.0854	0.2389	52.4241	-6.2253	-17.9898
23	3.6891	1.2061	0.0069	2.5223	1.5523	1.1272	-0.1485	-0.4135	0.1764	0.6424	0.194	-0.384	0.0176	-0.0599	-0.0782	0.3168	0.064	-0.0204	0.2101	0.0085	0.2613	54.629	8.4264	-21.0641
24	0.8278	0.3539	-0.0481	0.648	0.1714	0.8158	0.102	-0.1423	-0.1254	0.1411	-0.0568	0.0264	-0.062	-0.0986	-0.0337	0.1942	0.0179	0.052	0.1681	0.043	0.179	41.7324	5.5595	-23.8857
25	0.5023	-0.2901	-0.2874	0.73	0.151	1.8006	0.0266	-0.005	-0.2347	0.068	-0.098	0.0299	-0.0743	-0.1753	-0.0588	0.1558	-0.0111	0.051	0.1669	0.0324	0.2609	36.778	-1.2339	-26.5226
26	1.3262	1.2056	-0.269	1.6525	0.1961	2.2436	-0.1112	-0.2258	0.2231	0.3485	0.0799	0.6231	-0.1917	-0.5956	-0.1339	0.4008	0.025	0.2138	0.3778	0.0089	0.3358	25.404	10.8958	-10.1961
27	0.375	0.2133	0.1262	0.5264	-0.0271	0.3259	0.0454	-0.0248	0.0528	0.1179	0.0142	0.0881	-0.0534	-0.0069	-0.0695	0.1822	0.0308	0.0709	0.1631	0.0179	0.1999	39.9206	13.1259	-24.8626
28	4.2798	-1.7071	-0.104	1.7946	-1.449	1.9949	0.0201	-0.3251	0.5187	0.5005	-0.0389	0.0513	-0.4636	0.0585	0.0015	0.4388	0.0056	0.1016	0.23	-0.076	0.2258	39.8319	25.3104	-14.54
29	0.6189	-0.0815	-0.3318	0.6553	-0.3715	0.6533	0.0304	-0.1973	-0.2405	0.2467	-0.0012	-0.069	0.0504	-0.1613	0.0149	0.2768	-0.0172	0.0265	0.239	0.0967	0.2256	38.8519	-1.6716	-18.8834
30	0.7907	0.431	0.6417	0.3845	0.037	1.3726	-0.168	0.5684	-0.4923	-0.274	0.1272	-0.2204	0.5292	-0.18	0.6487	0.3608	-0.1768	0.1963	0.6279	-0.3409	0.3424	44.2786	2.8114	-65.0334
31	0.5908	0.0448	-0.0055	0.0362	-0.0536	0.4215	-0.2248	0.5165	-0.3464	-0.0016	0.1716	-0.0913	0.1578	-0.0154	0.1282	0.1962	-0.0998	0.1392	0.3322	-0.0988	0.2331	44.6732	7.0874	-56.2948
32	1.2661	0.699	-0.1871	1.0201	-0.0884	0.4696	-0.1893	0.2117	0.0019	-0.1284	0.1762	-0.0159	-0.0224	-0.017	-0.0204	0.136	-0.0314	0.012	0.2322	-0.0019	0.1696	40.5544	17.3784	-50.2473
33	0.7919	0.3985	0.2454	0.5814	0.1867	0.3371	-0.2356	0.1904	-0.0467	-0.0177	0.1828	0.129	-0.0911	0.0353	-0.0125	0.1138	-0.0439	0.02	0.2027	0.0127	0.1771	26.44	13.4949	-50.9256
34	0.8702	-0.2828	0.348	0.9295	0.4464	0.6896	-0.0967	0.2003	-0.0297	0.0531	0.181	0.1598	0.0846	-0.0554	0.0071	0.1311	-0.0344	0.0154	0.1821	-0.0055	0.2043	32.6123	9.7268	-48.9965
35	0.5776	-0.1284	0.1513	0.1144	0.2369	0.7418	-0.298	0.5678	-0.1609	-0.2367	0.3368	-0.0632	-0.0381	-0.0756	0.0702	0.2193	-0.1389	0.0158	0.4246	-0.0144	0.1569	36.3702	12.7244	-61.9733

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 3 through 90 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 91 through 210 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 211 through 242 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 243 through 291 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 3 through 53 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 54 through 90 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 91 through 139 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 140 through 210 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 211 through 242 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 243 through 291 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 3 through 23 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 24 through 38 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 39 through 90 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 91 through 139 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 140 through 210 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 211 through 242 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 243 through 292 )
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 3 through 90 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 91 through 182 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 183 through 291 )
21	X-RAY DIFFRACTION	21	chain 'E' and (resid 3 through 26 )
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 27 through 53 )
23	X-RAY DIFFRACTION	23	chain 'E' and (resid 54 through 67 )
24	X-RAY DIFFRACTION	24	chain 'E' and (resid 68 through 120 )
25	X-RAY DIFFRACTION	25	chain 'E' and (resid 121 through 152 )
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 153 through 177 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 178 through 227 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 228 through 242 )
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 243 through 292 )
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 3 through 53 )
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 54 through 90 )
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 91 through 139 )
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 140 through 210 )
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 211 through 242 )
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 243 through 291 )

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