PDB-3bje: Crystal structure of Trypanosoma brucei nucleoside phosphorylase ...

ID or keywords:

Entry

Database: PDB / ID: 3bje

Title

Crystal structure of Trypanosoma brucei nucleoside phosphorylase shows uridine phosphorylase activity

Components

Nucleoside phosphorylase, putative

Purine nucleoside phosphorylase

Keywords

TRANSFERASE /

nucleoside phosphorylase /

uridine phosphorylase /

Structural Genomics / Medical Structural Genomics of Pathogenic Protozoa Consortium / MSGPP /

Trypanosoma / brucei /

sleeping sickness /

Glycosyltransferase / PSI-2 /

Protein Structure Initiative

Function / homology

Function and homology information

uridine phosphorylase activity / nucleoside metabolic process /

purine-nucleoside phosphorylase activity / ciliary plasm /

Transferases; Glycosyltransferases; Pentosyltransferases /

metal ion binding /

cytoplasm
Similarity search - Function

Biological species

Trypanosoma brucei (eukaryote)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MAD / Resolution: 1.44 Å

Authors

Larson, E.T. / Merritt, E.A. / Structural Genomics of Pathogenic Protozoa Consortium (SGPP)

Citation

Journal: J.Mol.Biol. / Year: 2010
Title: The Crystal Structure and Activity of a Putative Trypanosomal Nucleoside Phosphorylase Reveal It to be a Homodimeric Uridine Phosphorylase
Authors: Larson, E.T. / Mudeppa, D.G. / Gillespie, J.R. / Mueller, N. / Napuli, A.J. / Arif, J.A. / Ross, J. / Arakaki, T.L. / Lauricella, A. / Detitta, G. / Luft, J. / Zucker, F. / Verlinde, C.L. / ...

History

Deposition	Dec 3, 2007	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 18, 2007	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 2.0	Jul 29, 2020	Group: Atomic model / Data collection ...Atomic model / Data collection / Database references / Derived calculations / Refinement description / Structure summary Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / software / struct_ref_seq_dif / struct_site / struct_site_gen Item: _atom_site.auth_atom_id / _atom_site.label_atom_id ..._atom_site.auth_atom_id / _atom_site.label_atom_id / _chem_comp.mon_nstd_flag / _chem_comp.name / _chem_comp.type / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _struct_ref_seq_dif.details Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1	Feb 21, 2024	Group: Data collection / Database references / Structure summary Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Remark 600

HETEROGEN THE FORMATION OF A COMPLEX WITH URACIL AND RIBOSE-1-PHOSPHATE RESULTS FROM ...

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/bj/3bje ftp://data.pdbj.org/pub/pdb/validation_reports/bj/3bje	HTTPS FTP

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Related structure data

Similar structure data	3eri-d 4ajs-d 1xiu-d 2wmi-1 4d6d-d 1ai2-d 4aja-d 1idc-d 6bmt-d 2wmj-2 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: Tbru017883AAA

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Nucleoside phosphorylase, putative

B: Nucleoside phosphorylase, putative

hetero molecules

76.7 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)	63.015, 95.387, 63.483
Angle α, β, γ (deg.)	90.000, 105.910, 90.000
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein

Nucleoside phosphorylase, putative /

Purine nucleoside phosphorylase

Mass: 38004.230 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Trypanosoma brucei (eukaryote) / Strain: GUTat10.1 / Gene: Tb927.8.4430 / Plasmid: BG1861 / Species (production host): Escherichia coli / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3)
References: UniProt: Q57VZ2,

Transferases; Glycosyltransferases; Pentosyltransferases

#2: Sugar

ChemComp-R1P / 1-O-phosphono-alpha-D-ribofuranose / RIBOSE-1-PHOSPHATE / 1-O-phosphono-alpha-D-ribose / 1-O-phosphono-D-ribose / 1-O-phosphono-ribose

Type: D-saccharide, alpha linking / Mass: 230.110 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Formula: C₅H₁₁O₈P

#3: Chemical

ChemComp-URA / URACIL /

Uracil

Mass: 112.087 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₄H₄N₂O₂

#4: Chemical

ChemComp-CA / CALCIUM ION

Mass: 40.078 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Ca

#5: Water

ChemComp-HOH / water /

Water

Mass: 18.015 Da / Num. of mol.: 501 / 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: 2.41 Å³/Da / Density % sol: 49.05 % Description: The Blu-ice software package was used for data collection. The reference is: McPhillips T.M., McPhillips S.E., Chiu H.J., Cohen A.E., Deacon A.M., Ellis P.J., Garman E., Gonzalez A., ...Description: The Blu-ice software package was used for data collection. The reference is: McPhillips T.M., McPhillips S.E., Chiu H.J., Cohen A.E., Deacon A.M., Ellis P.J., Garman E., Gonzalez A., Sauter N.K., Phizackerley R.P., Soltis S.M., Kuhn P., Blu-Ice and the Distributed Control System: software for data acquisition and instrument control at macromolecular crystallography beamlines. J Synchrotron Radiat. 2002 Nov 1, 9(Pt 6):401-6. Epub 2002 Nov 1. PMID: 12409628.
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8 Details: 39% PEG 8000, 0.1 M Tris-HCl pH 8.5, 0.1 M Sodium phosphate monobasic, 10 mM Uridine, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystal

Density Matthews: 2.41 Å³/Da / Density % sol: 49.05 %
Description: The Blu-ice software package was used for data collection. The reference is: McPhillips T.M., McPhillips S.E., Chiu H.J., Cohen A.E., Deacon A.M., Ellis P.J., Garman E., Gonzalez A., ...

Crystal grow

Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8
Details: 39% PEG 8000, 0.1 M Tris-HCl pH 8.5, 0.1 M Sodium phosphate monobasic, 10 mM Uridine, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

SSRL

/ Beamline: BL9-2 / Wavelength: 0.91724, 0.97910, 0.91160

Detector

Type: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Mar 28, 2007 / Details: Mirrors

Radiation

Monochromator: double crystal Si(111) / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	0.91724	1
2	0.9791	1
3	0.9116	1

Reflection

Redundancy: 3.3 % / Av σ(I) over netI: 8.1 / Number: 104235 / R_merge(I) obs: 0.109 / Χ²: 1.2 / D res high: 2.27 Å / D res low: 50 Å / Num. obs: 31735 / % possible obs: 95.1

Diffraction reflection shell

Highest resolution (Å)	Lowest resolution (Å)	% possible obs (%)	ID	R_merge(I) obs	Chi squared	Redundancy
4.89	50	99.9	1	0.071	2.519	3.4
3.88	4.89	100	1	0.065	1.668	3.4
3.39	3.88	100	1	0.079	1.191	3.4
3.08	3.39	100	1	0.113	1.057	3.4
2.86	3.08	100	1	0.169	0.924	3.4
2.69	2.86	100	1	0.223	0.901	3.4
2.56	2.69	96.8	1	0.24	0.853	3.2
2.45	2.56	91.3	1	0.256	0.852	3.1
2.35	2.45	84.5	1	0.295	0.813	3
2.27	2.35	77.8	1	0.3	0.809	3

Reflection

Resolution: 1.44→40 Å / Num. all: 123263 / Num. obs: 123263 / % possible obs: 95.4 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.4 % / B_iso Wilson estimate: 15.8 Å² / R_merge(I) obs: 0.079 / Χ²: 1.033 / Net I/σ(I): 8.4

Reflection shell

Resolution: 1.44→1.5 Å / Redundancy: 2.4 % / R_merge(I) obs: 0.637 / Mean I/σ(I) obs: 1.2 / Num. unique all: 9430 / Χ²: 1.03 / % possible all: 73.4

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Phasing

Phasing

Method:

MAD

Phasing set

ID
1
2

Phasing MAD

D res high: 2.3 Å / D res low: 50 Å / FOM : 0.23 / Reflection: 27846

Phasing MAD set

Clust-ID	Expt-ID	Set-ID	Wavelength (Å)	F double prime refined	F prime refined
1	2 wavelength	1	0.9791	6.34	-8.45
1	2 wavelength	2	0.9116	3.3	-1.7

Phasing MAD set site

ID	Atom type symbol	B iso	Fract x	Fract y	Fract z	Occupancy
1	Se	1.985	0.729	0.501	0.196	0.48
2	Se	39.559	0.092	0.437	0.471	0.881
3	Se	39.315	0.746	0.54	0.225	0.277
4	Se	18.255	0.773	0.54	0.166	0.788
5	Se	20.304	0.768	0.527	0.39	0.772
6	Se	31.658	0.407	0.603	0.089	0.833
7	Se	10.763	0.864	0.385	0.134	0.52
8	Se	1	0.553	0.543	0.445	0.219
9	Se	5.768	0.616	0.695	0.091	0.506
10	Se	59.701	0.877	0.619	0.108	1.091
11	Se	32.581	0.155	0.549	0.237	0.642
12	Se	33.324	0.067	0.6	0.42	0.723
13	Se	14.588	0.816	0.695	0.409	0.604
14	Se	22.25	0.783	0.579	0.391	0.614
15	Se	1	0.131	0.545	0.294	0.172
16	Se	40.3	0.854	0.679	0.468	0.636
17	Se	1	0.831	0.625	0.056	0.151
18	Se	46.016	0.176	0.58	0.275	0.359
19	Se	1	0.54	0.004	0.062	0.209
20	Se	1.977	0.933	0.133	0.397	0.219
21	Se	40.298	0.545	0.765	0.286	0.579
22	Se	1	0.123	0.733	0.495	0.01

Phasing MAD shell

Resolution (Å)	FOM	Reflection
8.32-50	0.46	1488
5.24-8.32	0.44	2591
4.09-5.24	0.39	3328
3.47-4.09	0.3	3896
3.06-3.47	0.21	4155
2.77-3.06	0.14	4321
2.55-2.77	0.11	4208
2.37-2.55	0.08	3859

Phasing dm

FOM : 0.66 / FOM acentric: 0.66 / FOM centric: 0.7 / Reflection: 28486 / Reflection acentric: 27669 / Reflection centric: 817

Phasing dm shell

Resolution (Å)	FOM	FOM acentric	FOM centric	Reflection	Reflection acentric	Reflection centric
6.5-38.094	0.9	0.91	0.81	1469	1337	132
4.1-6.5	0.88	0.88	0.82	4404	4203	201
3.2-4.1	0.82	0.83	0.73	5458	5282	176
2.8-3.2	0.68	0.68	0.72	5145	5032	113
2.4-2.8	0.51	0.51	0.47	8049	7905	144
2.3-2.4	0.39	0.39	0.41	3961	3910	51

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Processing

Software

Name	Version	Classification
Blu-Ice		data collection
DENZO		data reduction
SCALEPACK		data scaling
SOLVE	2.1	phasing
RESOLVE	2.1	phasing
REFMAC	refmac_5.2.0019	refinement
PDB_EXTRACT	3.004	data extraction
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure:

MAD / Resolution: 1.44→35.38 Å / Cor.coef. F_o:F_c: 0.975 / Cor.coef. F_o:F_c free: 0.963 / SU B: 2.283 / SU ML: 0.044 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.056 / ESU R Free: 0.06 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.184	6191	5 %	RANDOM
R_work	0.155	-	-	-
all	0.156	123193	-	-
obs	0.156	123193	94.72 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 16.915 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.92 Å²	0 Å²	-0.62 Å²
2-	-	-0.4 Å²	0 Å²
3-	-	-	0.98 Å²

Refinement step

Cycle: LAST / Resolution: 1.44→35.38 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4984	0	45	501	5530

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.01	0.022	5182
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	3544
X-RAY DIFFRACTION	r_angle_refined_deg	1.325	1.972	7017
X-RAY DIFFRACTION	r_angle_other_deg	0.867	3	8649
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.856	5	678
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.398	23.425	219
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	11.651	15	916
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	16.468	15	44
X-RAY DIFFRACTION	r_chiral_restr	0.072	0.2	801
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.02	5806
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	1040
X-RAY DIFFRACTION	r_nbd_refined	0.208	0.2	989
X-RAY DIFFRACTION	r_nbd_other	0.203	0.2	3970
X-RAY DIFFRACTION	r_nbtor_refined	0.174	0.2	2573
X-RAY DIFFRACTION	r_nbtor_other	0.083	0.2	2732
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.118	0.2	439
X-RAY DIFFRACTION	r_metal_ion_refined	0.048	0.2	2
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.072	0.2	1
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.227	0.2	25
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.095	0.2	16
X-RAY DIFFRACTION	r_mcbond_it	1.722	4	3407
X-RAY DIFFRACTION	r_mcbond_other	0.477	4	1356
X-RAY DIFFRACTION	r_mcangle_it	2.267	6	5287
X-RAY DIFFRACTION	r_scbond_it	2.948	6	2017
X-RAY DIFFRACTION	r_scangle_it	4.3	10	1718

LS refinement shell

Resolution: 1.44→1.478 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.319	290	-
R_work	0.268	5846	-
all	-	6136	-
obs	-	9605	63.883 %

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	2.5867	0.6047	-0.2584	1.1134	-0.1202	0.4108	-0.0751	0.1084	-0.2521	-0.131	-0.0273	0.0893	0.0724	-0.0455	0.1024	-0.014	0.004	-0.0102	-0.0105	-0.0372	0.0166	-4.434	-6.6596	10.8574
2	0.6822	0.432	-0.229	0.6918	0.1624	0.3657	0.0141	0.0306	-0.1278	-0.0426	-0.0395	0.0746	0.0361	-0.0288	0.0254	-0.0296	0.0131	-0.0084	0.0077	-0.0184	-0.0069	-1.2138	-2.394	10.7313
3	4.4763	-1.925	1.2468	7.571	-0.355	6.1868	0.0174	0.4191	0.1542	-0.5543	-0.0844	0.2672	-0.0507	-0.3662	0.0671	0.038	0.0208	-0.0711	0.064	0.0292	-0.0593	-4.7784	5.6912	-6.6783
4	1.6482	0.1607	0.2913	0.7446	0.0673	1.5315	0.0052	0.166	0.1683	-0.1384	-0.0343	0.2108	-0.1307	-0.1689	0.0291	0.0079	0.0337	-0.0327	0.0386	0.0015	0.0259	-5.0947	8.894	8.2537
5	1.3354	0.2332	-0.1296	0.9184	0.1538	0.6569	0.0408	-0.1526	0.1792	0.0223	-0.0754	0.0923	-0.1427	-0.0903	0.0346	0.0011	0.0185	0.005	0.0216	-0.0405	-0.0041	5.7504	13.2721	20.9439
6	2.8445	-0.693	0.7549	1.949	0.6697	1.6294	-0.05	0.074	0.275	-0.1373	-0.0441	0.0824	-0.2917	-0.0285	0.0941	0.034	0.0164	-0.0131	-0.0424	-0.0227	0.0092	11.6708	24.2218	20.9647
7	2.8739	0.5985	-0.1474	1.4181	-0.1159	0.9516	0.0407	-0.3839	0.0717	0.1275	-0.1169	0.3937	-0.0579	-0.2523	0.0762	-0.0456	0.0349	0.0331	0.0672	-0.0767	0.0555	-8.1565	11.6067	24.8451
8	1.6993	-0.1906	0.3266	0.9651	0.1795	0.6898	-0.0228	-0.1957	0.0282	0.1411	-0.0338	0.0432	-0.0005	-0.1386	0.0566	0.0078	0.0009	0.0254	0.019	-0.0224	-0.0428	12.6214	6.9729	30.7767
9	0.708	0.2882	0.5	0.6934	0.1595	0.8849	-0.0155	-0.1453	0.178	0.0441	-0.0789	0.0999	-0.1088	-0.1926	0.0945	-0.0318	0.0369	0.0094	-0.0003	-0.0438	-0.0207	5.0424	14.2799	23.672
10	12.4436	8.0488	0.3683	5.8477	2.0857	5.3307	0.6567	-1.4337	-0.0849	0.9377	-0.5407	-0.1983	-0.2822	-0.5124	-0.1159	0.0355	0.018	-0.005	0.0695	0.0205	0.0362	6.6431	5.1595	39.5171
11	3.7454	0.0916	1.757	2.887	-1.862	5.0859	0.1524	-0.4806	-0.2186	0.1539	-0.1164	0.0604	0.2709	-0.3437	-0.036	-0.0552	-0.0417	0.0315	0.0848	-0.0273	0.0124	-9.6106	0.1791	27.8814
12	10.9899	28.934	-8.6452	108.7779	-15.7119	8.3249	0.3821	-0.5212	0.5483	1.6311	-0.1617	3.1784	-0.1214	-0.1901	-0.2204	0.0184	0.0294	-0.0001	0.0726	0.0303	0.0102	13.3018	-6.0045	38.5821
13	0.6507	-0.2996	0.097	0.9948	-0.0718	0.4725	0.0119	-0.0533	-0.0949	0.0336	-0.0133	0.1298	0.0534	-0.0507	0.0014	-0.0091	-0.0092	0.0134	-0.0217	0.0169	-0.0181	18.8964	-14.5771	24.5608
14	16.686	-3.0795	8.6355	16.9123	3.3374	7.3836	0.1789	-2.3522	-0.6271	1.6447	0.1997	0.6761	0.7907	-1.0418	-0.3786	0.0472	-0.0529	0.038	0.1185	0.0863	-0.1553	26.0607	-6.921	42.7261
15	0.5091	-0.0901	0.1486	0.9082	0.3434	1.1633	0.0368	-0.0649	0.0302	0.1503	0.0293	-0.1401	0.1141	0.1676	-0.0661	-0.0082	-0.0103	0.0027	0.0072	-0.0049	-0.0095	32.2294	-6.632	27.9533
16	0.6794	-0.3241	-0.3132	1.3377	0.0545	0.9251	0.0386	0.0508	0.043	-0.1315	-0.0245	-0.1369	-0.0164	0.0948	-0.0141	0.0194	-0.0011	0.0177	0.0275	0.0105	0.0075	27.3633	1.5418	11.7307
17	2.4576	-0.3854	1.2851	1.1996	-1.2713	4.9405	-0.0883	-0.0633	0.1539	0.0058	-0.0253	-0.1794	-0.4007	0.1584	0.1135	-0.0143	-0.0274	0.0192	-0.0002	0.049	0.0119	34.4075	11.1449	8.2423
18	0.6482	-0.2965	0.0384	1.3754	0.0955	0.4066	0.0236	0.082	-0.0204	-0.1333	-0.0231	-0.1428	0.0316	0.0376	-0.0005	0.0086	0.002	0.0344	0.0026	-0.0016	-0.0096	32.047	-6.0621	9.7072
19	1.1026	-0.4791	0.0467	1.2166	-0.115	0.403	0.0625	0.1638	-0.0678	-0.1928	-0.056	0.0169	0.0754	0.0162	-0.0066	0.0361	0.0153	0.0122	0.0104	-0.0077	-0.0425	19.2983	-3.2185	2.236
20	1.4435	-0.2364	0.0484	1.1103	-0.1132	0.8422	0.0486	0.2229	0.0737	-0.1096	-0.0939	-0.1346	0.0095	0.1021	0.0453	0.0139	0.0065	0.031	0.0207	0.025	-0.0418	25.9552	5.9611	0.891
21	0.8199	-0.2006	0.2286	1.2072	-0.1085	0.8045	0.0194	0.0726	0.0101	-0.1233	-0.0272	0.0151	0.0189	-0.0344	0.0078	0.0135	0.0054	0.0144	0.0072	0.0011	-0.0071	25.132	-3.5951	12.9354
22	2.9099	-0.3794	2.5316	3.3372	-0.8077	4.9366	0.0018	0.1799	-0.0403	-0.5385	0.0241	0.3523	0.1224	-0.2202	-0.026	0.0589	-0.0013	-0.0248	0.0028	-0.0062	-0.0045	22.3793	-16.9336	4.9594

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	15 - 63	23 - 71
2	X-RAY DIFFRACTION	2	A	A	64 - 106	72 - 114
3	X-RAY DIFFRACTION	3	A	A	107 - 118	115 - 126
4	X-RAY DIFFRACTION	4	A	A	119 - 145	127 - 153
5	X-RAY DIFFRACTION	5	A	A	146 - 174	154 - 182
6	X-RAY DIFFRACTION	6	A	A	175 - 196	183 - 204
7	X-RAY DIFFRACTION	7	A	A	197 - 227	205 - 235
8	X-RAY DIFFRACTION	8	A	A	228 - 257	236 - 265
9	X-RAY DIFFRACTION	9	A	A	258 - 309	266 - 317
10	X-RAY DIFFRACTION	10	A	A	310 - 319	318 - 327
11	X-RAY DIFFRACTION	11	A	A	320 - 341	328 - 349
12	X-RAY DIFFRACTION	12	B	B	15 - 21	23 - 29
13	X-RAY DIFFRACTION	13	B	B	22 - 105	30 - 113
14	X-RAY DIFFRACTION	14	B	B	106 - 113	114 - 121
15	X-RAY DIFFRACTION	15	B	B	114 - 145	122 - 153
16	X-RAY DIFFRACTION	16	B	B	146 - 175	154 - 183
17	X-RAY DIFFRACTION	17	B	B	176 - 191	184 - 199
18	X-RAY DIFFRACTION	18	B	B	192 - 224	200 - 232
19	X-RAY DIFFRACTION	19	B	B	225 - 253	233 - 261
20	X-RAY DIFFRACTION	20	B	B	254 - 283	262 - 291
21	X-RAY DIFFRACTION	21	B	B	284 - 313	292 - 321
22	X-RAY DIFFRACTION	22	B	B	314 - 341	322 - 349

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