PDB-2fr5: Crystal Structure of Mouse Cytidine Deaminase Complexed with Tetr...

ID or keywords:

Entry

Database: PDB / ID: 2fr5

Title

Crystal Structure of Mouse Cytidine Deaminase Complexed with Tetrahydrouridine

Components

Cytidine deaminase

Keywords

HYDROLASE / CYTIDINE DEAMINASE / TETRAHYDROURIDINE / PROTEIN-INHIBITOR COMPLEX / ALTERNATE CONFORMATION OF ARG68

Function / homology

Function and homology information

Pyrimidine salvage / negative regulation of nucleotide metabolic process / CMP catabolic process / cytidine deaminase / dCMP catabolic process / cytidine deamination / cellular response to external biotic stimulus / deaminase activity / : / cytidine deaminase activity ...
Similarity search - Function

Biological species

Mus musculus (house mouse)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.48 Å

Authors

Teh, A.H.

Citation

Journal: Biochemistry / Year: 2006
Title: The 1.48 A Resolution Crystal Structure of the Homotetrameric Cytidine Deaminase from Mouse
Authors: Teh, A.H. / Kimura, M. / Yamamoto, M. / Tanaka, N. / Yamaguchi, I. / Kumasaka, T.

History

Deposition	Jan 19, 2006	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Jul 11, 2006	Provider: repository / Type: Initial release
Revision 1.1	May 1, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.3	Oct 25, 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 / pdbx_struct_conn_angle / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _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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PDBx/mmCIF format	2fr5.cif.gz	139.4 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	2fr5_validation.pdf.gz	477.8 KB	Display	wwPDB validaton report
Full document	2fr5_full_validation.pdf.gz	480.5 KB	Display
Data in XML	2fr5_validation.xml.gz	28 KB	Display
Data in CIF	2fr5_validation.cif.gz	40.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/fr/2fr5 ftp://data.pdbj.org/pub/pdb/validation_reports/fr/2fr5	HTTPS FTP

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Related structure data

Related structure data	1zabC 2fr6C 1mq0S C: citing same article (ref.) S: Starting model for refinement
Similar structure data	1zab-d 2fr6-d 1rqh-d 4h6c-1 3nyq-d 4h6c-2 4h6b-3 4j14-d 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	#80 - Aug 2006 AAA+ Proteases similarity (1) #62 - Feb 2005 Major Histocompatibility Complex similarity (1) #88 - Apr 2007 Clathrin similarity (1) #143 - Nov 2011 Toll-like Receptors similarity (1) #166 - Oct 2013 Proteasome similarity (1) #176 - Aug 2014 Dynein similarity (1) #177 - Sep 2014 Apoptosomes similarity (1) #63 - Mar 2005 T-Cell Receptor similarity (1)

Deposited unit

A: Cytidine deaminase

B: Cytidine deaminase

C: Cytidine deaminase

D: Cytidine deaminase

hetero molecules

65.9 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software

2

A: Cytidine deaminase

B: Cytidine deaminase

C: Cytidine deaminase

D: Cytidine deaminase

hetero molecules

A: Cytidine deaminase

B: Cytidine deaminase

C: Cytidine deaminase

D: Cytidine deaminase

hetero molecules

defined by software
132 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	82.238, 93.403, 180.743
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	23
Space group name H-M	I222

Components on special symmetry positions

ID	Model	Components
1	1	A-1005- SO4
2	1	A-1087- HOH

Details

THE BIOLOGICAL ASSEMBLY IS SIMILAR TO THE TETRAMER CONTAINED IN THE ASYMMETRIC UNIT.

#1: Protein	Cytidine deaminase / Cytidine aminohydrolase Mass: 16148.411 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Plasmid: pET-21c / Species (production host): Escherichia coli / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: P56389, cytidine deaminase
#2: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO₄
#4: Chemical	ChemComp-TYU / TETRAHYDROURIDINE / 1-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-4- HYDROXY-TETRAHYDRO-PYRIMIDIN-2-ONE Type: RNA linking / Mass: 248.233 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₉H₁₆N₂O₆
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 498 / 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: 2.69 Å³/Da / Density % sol: 54.19 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 4 Details: 0.8M AMMONIUM SULPHATE, 0.1M CITRATE, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL26B2 / Wavelength: 0.9 Å
Detector	Type: RIGAKU JUPITER 210 / Detector: CCD / Date: May 23, 2004
Radiation	Monochromator: SI / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9 Å / Relative weight: 1
Reflection	Resolution: 1.48→41.49 Å / Num. all: 111799 / Num. obs: 111799 / % possible obs: 96.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 6.63 % / R_merge(I) obs: 0.073 / Χ²: 1.07 / Net I/σ(I): 15.6 / Scaling rejects: 70985
Reflection shell	Resolution: 1.48→1.53 Å / % possible obs: 98.9 % / Redundancy: 5.26 % / R_merge(I) obs: 0.288 / Mean I/σ(I) obs: 5 / Num. measured all: 73184 / Num. unique all: 11283 / Num. unique obs: 11283 / Χ²: 1 / % possible all: 98.9

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Phasing

Phasing MR

R_factor: 0.508 / Cor.coef. F_o:F_c: 0.39

	Highest resolution	Lowest resolution
Rotation	3 Å	41.49 Å
Translation	3 Å	41.49 Å

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Processing

Software

Name	Version	Classification
d*TREK	8.0SSI	data scaling
MOLREP		phasing
REFMAC	5.2.0005	refinement
PDB_EXTRACT	1.701	data extraction
BBS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1MQ0

1mq0

Resolution: 1.48→41.49 Å / Cor.coef. F_o:F_c: 0.964 / Cor.coef. F_o:F_c free: 0.955 / SU B: 2.121 / SU ML: 0.044 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.061 / ESU R Free: 0.062 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: TLS AND UNRESTRAINED REFINEMENT. Due to excessive electron density, NH1 of ARG 68 was refined with unit occupancy for both alternate conformations in the four subunits. Disordered atoms were ...

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.19	5592	5 %	RANDOM
R_work	0.168	-	-	-
all	0.169	111795	-	-
obs	0.169	111795	96.66 %	-

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 mean: 13.577 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.33 Å²	0 Å²	0 Å²
2-	-	0.71 Å²	0 Å²
3-	-	-	-0.37 Å²

Refinement step

Cycle: LAST / Resolution: 1.48→41.49 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4186	0	77	498	4761

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.009	0.022	4470
X-RAY DIFFRACTION	r_angle_refined_deg	1.447	1.994	6039
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.73	5	537
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	32.392	23.204	206
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	12.394	15	787
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	13.548	15	42
X-RAY DIFFRACTION	r_chiral_restr	0.085	0.2	651
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.02	3382
X-RAY DIFFRACTION	r_nbd_refined	0.199	0.2	2389
X-RAY DIFFRACTION	r_nbtor_refined	0.307	0.2	3039
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.146	0.2	428
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.212	0.2	71
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.256	0.2	35
X-RAY DIFFRACTION	r_mcbond_it	0.481	1.5	2776
X-RAY DIFFRACTION	r_mcangle_it	0.745	2	4376
X-RAY DIFFRACTION	r_scbond_it	1.026	3	1895
X-RAY DIFFRACTION	r_scangle_it	1.414	4.5	1662

LS refinement shell

Resolution: 1.48→1.518 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.286	402	-
R_work	0.253	7931	-
obs	-	8333	98.62 %

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	7.2766	-3.5949	-0.9696	5.8526	1.3036	7.5154	-0.1035	-0.4165	-0.5937	-0.3847	0.242	0.2714	0.307	0.3295	-0.1385	0.0112	0.0339	0.0315	-0.0276	0.0489	0.032	28.9804	-17.9137	78.8119
2	9.4312	-1.869	0.1775	6.3661	0.1746	2.4518	-0.0624	0.2412	-0.1812	0.1169	-0.0571	-0.0251	0.0623	0.1293	0.1195	0.0196	0.0072	0.0289	-0.0138	0.0368	0.0103	23.8994	-14.3624	78.7132
3	7.1559	-1.4781	0.6927	2.0605	-0.9327	2.2126	0.0167	0.0723	-0.3277	0.121	0.1468	0.2268	0.052	-0.1629	-0.1635	0.0088	-0.0106	0.0222	-0.0144	0.0387	0.0352	14.6259	-9.0993	76.7304
4	2.1672	-0.5244	0.4412	1.0227	-0.2265	0.9009	-0.1003	-0.1112	-0.1026	0.1497	0.0902	0.0294	-0.0121	-0.0095	0.0101	0.0419	-0.01	0.0059	0.0023	0.0133	0.0129	17.7334	-2.3473	75.5937
5	1.9362	-1.8938	0.2851	2.3317	-0.8674	0.7645	-0.0238	0.0617	0.0986	0.0074	0.0467	-0.0076	-0.0432	-0.0845	-0.0229	0.0082	-0.0096	-0.0066	0.0168	0.0125	0.0157	13.1369	6.8402	69.2167
6	2.6316	-0.1119	2.1781	2.2825	1.3104	3.5418	-0.1959	-0.0487	0.1138	0.0242	0.0482	-0.0481	-0.1432	0.0011	0.1477	0.0223	0.0068	-0.004	0.0017	0.0139	0.0157	23.7904	3.833	76.5928
7	6.1379	-6.1396	-8.2825	7.5467	8.1782	14.0353	-0.0641	-0.0908	0.1008	0.3089	0.208	-0.3253	-0.0232	0.286	-0.1438	0.0274	0.0111	-0.0387	0.0057	-0.0032	-0.0119	31.601	1.7118	82.4521
8	11.5289	2.5637	4.2852	1.8169	1.7727	2.9516	0.0411	-0.2946	-0.397	0.0922	0.0251	-0.0513	0.1669	-0.1494	-0.0662	0.035	-0.0135	0.0156	0.0257	0.0217	0.0387	21.9212	-9.0234	71.0827
9	3.954	0.2177	-1.9607	10.45	4.4552	2.9671	-0.3149	0.4642	-0.2942	-0.3994	-0.0327	0.4156	0.0104	-0.0964	0.3476	0.0132	-0.0311	0.0033	-0.0021	-0.026	0.0097	19.0163	-11.2775	62.3295
10	0.5437	-0.1148	0.8017	0.2933	-0.1034	1.1982	-0.0533	0.088	-0.0094	0.0318	0.04	0.0027	0.0075	0.04	0.0134	0.0113	-0.0162	0.0062	0.0223	0.0074	0.0153	28.6283	2.2329	66.4473
11	1.0936	0.2792	0.5105	1.3415	0.2403	0.3908	-0.0644	0.0375	-0.0392	0.0093	0.0892	-0.0928	0.0141	0.0514	-0.0248	0.0185	0.0045	0.0148	0.0002	0.0076	0.0237	33.3302	-2.6435	71.5828
12	11.6994	1.8412	-0.8042	8.1284	0.3937	1.9093	-0.0403	-0.2796	-0.6631	0.053	-0.0133	0.2342	0.3013	-0.05	0.0536	0.027	-0.0393	0.0266	-0.023	0.0149	0.0294	19.4433	-14.8861	67.5948
13	7.528	5.8804	-3.1307	5.7085	-3.6341	2.5689	-0.148	0.1482	-0.3638	-0.1108	0.0372	-0.0353	0.211	-0.0089	0.1108	0.0005	-0.0146	0.0314	-0.0188	-0.0283	0.0347	28.498	-13.0915	66.3484
14	0.4573	0.8696	-0.3821	2.5266	-0.1434	0.8197	-0.0769	0.0884	-0.0524	-0.0304	0.049	-0.0681	0.0026	-0.0331	0.0279	-0.0093	-0.0128	-0.0014	0.0237	0.0108	0.0123	36.3456	2.2494	63.4875
15	6.5111	-0.3654	5.5357	4.3159	0.4466	7.4239	-0.3502	-0.0895	0.5494	0.1715	0.0337	-0.1592	-0.3359	0.0347	0.3165	-0.0147	-0.0139	-0.0237	-0.0066	0.007	0.0358	42.9223	13.9448	68.9487
16	30.3473	24.226	-57.6154	19.3394	-45.9939	109.3849	-1.3639	-0.3519	-1.1893	-2.5585	-0.6515	-0.3552	1.6363	-2.3063	2.0154	0.1065	-0.0475	0.1411	0.0929	-0.0639	0.0892	34.1347	10.6737	35.1034
17	8.5201	8.4165	0.9507	8.9901	4.2222	16.0507	-0.3913	0.3529	-0.2375	-0.6486	0.3455	-0.0366	-0.3367	0.2892	0.0458	0.0099	-0.0671	0.0522	0.0407	0.0527	-0.0312	35.2338	14.4541	40.0265
18	1.7709	-2.0648	-2.1662	6.1992	6.4098	9.0792	-0.1654	0.2293	0.1763	-0.2843	0.3364	-0.2158	-0.383	0.4496	-0.171	0.0102	-0.0799	0.0339	0.0774	0.074	-0.0195	35.5512	21.494	48.7628
19	1.0836	-0.146	-0.1898	1.1409	0.4065	1.1522	-0.0307	0.1693	0.1103	-0.0927	0.0113	-0.0648	-0.0662	-0.0129	0.0194	0.0282	-0.0275	-0.0143	0.0366	0.0547	0.0324	30.7128	18.9968	54.6394
20	0.6443	0.3204	-0.2726	1.3178	1.1536	1.9986	-0.1052	0.219	0.1083	-0.1826	0.0194	0.0431	-0.2191	-0.0391	0.0858	0.0072	-0.0162	-0.0294	0.0483	0.0525	0.0121	26.2877	19.581	52.4175
21	0.2283	-0.6367	-1.2135	2.0806	2.9688	7.0181	-0.0737	0.1137	0.1125	0.0997	0.0065	0.063	0.0109	-0.0803	0.0672	0.0026	-0.006	-0.0214	0.0149	0.0331	0.023	25.8847	17.983	64.4287
22	2.8423	0.5756	0.4604	0.6216	-0.4573	2.2965	-0.0288	0.0727	0.0885	-0.0541	-0.0187	0.0726	-0.0232	-0.1139	0.0475	0.0092	-0.0215	-0.0097	0.0379	0.0284	-0.0038	21.1056	14.9607	52.0391
23	5.8866	-6.1299	-0.6206	9.861	0.037	2.9095	0.0026	0.3549	-0.2007	-0.1355	-0.0302	0.2273	-0.0501	-0.0154	0.0276	-0.0191	-0.0564	-0.0401	0.102	0.0413	-0.0528	18.7362	11.7562	43.796
24	3.6151	2.0133	2.5855	3.3332	2.8763	4.4156	-0.064	0.19	0.0101	-0.1607	0.039	-0.2468	-0.1875	0.0492	0.0249	0.0176	-0.0352	0.0105	0.0566	0.0431	0.0255	36.5067	13.3077	51.3001
25	1.807	-0.3301	-0.6058	1.0978	-0.337	1.1962	-0.0381	0.0197	0.1336	0.0465	0.0094	-0.1351	-0.0074	0.1035	0.0287	0.0144	-0.0197	-0.0135	0.0234	0.0226	0.0253	34.8124	8.0718	57.9043
26	4.0079	-0.0498	-1.1229	0.7427	0.2974	1.5306	-0.0949	0.4064	-0.049	-0.2016	0.0781	-0.0328	0.0993	-0.127	0.0167	0.0123	-0.027	0.0086	0.0397	0.0144	-0.0236	24.6906	3.2184	50.3464
27	1.5747	-0.6246	-2.4581	4.7271	2.427	4.3076	0.08	0.0406	-0.0972	-0.2875	-0.0657	-0.4916	-0.1386	0.1364	-0.0143	0	-0.0209	0.022	0.025	0.0541	0.047	41.5118	11.7996	50.2976
28	7.8405	5.7702	-2.5032	4.3688	-1.4775	1.8876	-0.0437	0.4498	-0.0698	-0.1131	0.0558	-0.2623	0.0089	-0.011	-0.0121	-0.0207	-0.0081	0.032	0.0224	0.0347	0.0186	38.6705	4.9939	48.9823
29	3.0047	0.1974	-0.2807	1.639	-0.6623	0.6525	-0.0599	0.1168	-0.1701	-0.101	0.0232	-0.0771	0.0804	-0.0289	0.0368	0.0287	-0.0316	0.0127	0.024	-0.0112	-0.0022	25.0727	-3.1136	56.0639
30	27.3172	-4.4609	6.012	13.5947	-5.3671	19.3081	0.0616	1.2132	-1.1488	-0.6963	0.2307	0.8398	0.8791	-1.3023	-0.2923	-0.0206	-0.1099	-0.03	0.1084	-0.0288	0.0152	11.5744	-5.77	56.8469
31	0.0426	0.0318	1.0561	2.6452	-9.0752	63.2575	-0.7337	0.2891	1.6613	0.3083	0.2205	0.4029	-2.7706	0.6516	0.5131	0.0777	0.1323	-0.1917	0.14	0.0257	0.0829	4.8626	38.8387	50.44
32	4.0146	-4.3778	2.4795	15.5685	0.4051	3.7013	-0.1049	-0.1658	-0.0072	-0.4732	0.1679	0.1149	-0.2059	-0.2628	-0.0629	-0.0144	-0.0188	-0.0739	0.0839	0.116	-0.0072	5.3843	28.4924	48.8124
33	1.5712	0.0909	0.9538	2.5586	-0.0001	0.6587	-0.0929	0.3216	0.0502	-0.1491	0.0036	0.1934	-0.0947	-0.0244	0.0893	-0.0063	-0.0212	-0.0344	0.0667	0.0357	-0.0081	8.0329	9.998	52.3334
34	1.1139	0.9376	-0.3893	4.77	-1.0063	1.0716	-0.085	0.1795	0.2335	-0.3447	0.0706	-0.024	-0.1016	-0.0209	0.0144	0.0337	-0.0103	-0.0351	0.0419	0.0799	0.0465	11.7847	26.0371	52.8989
35	0.8646	-0.093	0.2502	2.7058	-0.8034	0.339	-0.0295	0.1776	0.1142	-0.193	-0.0167	0.0585	-0.0474	0.0042	0.0462	0.008	-0.022	-0.0197	0.0303	0.0537	0.0008	14.005	17.5242	53.1962
36	0.2223	-1.2006	0.1949	6.5274	-0.8761	0.8747	-0.0748	0.0728	0.0558	0.0505	0.0651	-0.028	0.0311	0.0116	0.0097	-0.0022	-0.0152	-0.0145	0.0214	0.0304	0.0125	14.9742	10.7042	60.7052
37	3.0588	-0.475	-0.257	1.357	-0.4968	0.2461	-0.0096	0.0626	0.0462	-0.0742	-0.0646	-0.1106	-0.0508	0.1134	0.0743	0.0111	-0.0147	-0.0338	0.0178	0.0577	0.029	20.1796	22.8578	55.17
38	0.8702	-0.4312	-0.4845	0.5097	-0.163	0.8185	0.0758	0.1446	0.1478	-0.023	-0.014	-0.0979	-0.1362	0.0135	-0.0617	0.0167	-0.0068	-0.0411	0.0138	0.0721	0.0606	13.375	28.8385	55.9528
39	1.5517	-0.2375	-2.6686	3.8917	3.9895	7.9154	0.0667	-0.312	-0.1106	0.0749	-0.3615	0.4803	0.3463	-0.6238	0.2948	-0.0334	-0.008	-0.0469	0.0412	0.056	0.0469	-2.5532	20.0325	61.0831
40	1.7763	0.001	0.7395	0.9123	-0.5567	0.648	-0.0421	0.0104	0.1627	-0.0095	-0.0165	-0.0296	-0.0846	0.0376	0.0586	0.0142	-0.0029	-0.0285	-0.0077	0.0392	0.031	16.0634	26.0972	66.131
41	3.852	1.104	1.1665	1.0072	0.8152	1.0034	-0.0687	-0.0111	0.1793	-0.0313	0.0171	-0.0238	-0.2023	-0.1307	0.0516	0.0115	0.0126	-0.0463	0.0102	0.0644	0.0467	6.4641	30.0809	60.7537
42	6.1033	5.9221	4.8437	16.8038	10.0314	8.2809	-0.0207	-0.13	0.1936	-0.5815	-0.3912	0.3396	-0.3826	-0.2823	0.4119	-0.0234	0.0308	-0.0492	0.0261	0.0526	-0.0074	-2.227	28.1034	57.6622
43	1.4095	1.6819	2.5952	8.4834	-1.0147	7.3882	-0.151	-0.0821	0.4266	0.3824	-0.022	0.0352	-0.2708	-0.329	0.1731	0.0284	0.0389	-0.0389	0.0039	0.0301	0.0303	8.6162	32.4544	67.9467
44	1.6838	-0.0619	0.7797	0.9667	-0.3572	2.1409	-0.0326	-0.1766	0.1987	0.0144	-0.0386	0.0202	-0.1301	-0.1255	0.0712	0.0301	0.0175	-0.0369	-0.0374	0.0156	0.0345	15.2214	28.8848	72.7932
45	7.3955	-4.2934	-0.3917	14.0789	4.3997	10.5325	-0.3833	-0.2218	0.7713	-0.2598	0.4007	-1.1709	-0.5176	0.2972	-0.0174	0.0315	-0.0397	-0.067	-0.0815	0.0013	0.1054	27.8364	30.3896	74.9379
46	4.2207	-0.6517	-5.4638	6.0515	-4.7832	12.3936	-0.0282	-0.3995	0.1914	0.3699	0.2411	0.2101	-0.6393	0.0624	-0.213	0.0227	0.1018	-0.0109	0.078	0.002	-0.0626	12.0194	19.9369	98.3731
47	9.0538	-1.5026	-2.5555	1.2961	-1.0197	9.8151	-0.088	-0.2532	0.1709	0.0953	0.1369	-0.0247	-0.1837	-0.3601	-0.0489	0.0352	0.0544	-0.0141	0.0014	0.0074	-0.0179	17.4053	17.4427	94.9264
48	5.9693	-1.5075	-3.3922	1.9653	1.45	2.1498	0.0614	-0.245	0.1561	0.0424	-0.0251	-0.0617	-0.1046	0.2295	-0.0364	0.046	0.0081	-0.0349	0.0426	0.0107	-0.0348	27.3188	15.702	88.79
49	1.5245	-0.1981	-0.5637	0.9647	0.0216	1.7387	-0.0535	-0.0639	0.0537	0.0932	0.0568	-0.0437	-0.0398	0.0147	-0.0033	0.0495	0.0156	-0.031	-0.0001	0.0071	0.0178	25.0319	15.4239	81.6864
50	8.8961	2.8072	-5.093	1.5475	-2.5329	5.0492	-0.0608	-0.3409	-0.2131	0.1177	0.0008	-0.0138	0.0846	-0.0466	0.06	0.043	0.0299	0.0023	0.0082	0.0263	-0.0042	17.3042	8.7596	88.2659
51	1.0431	-0.7831	-1.0323	1.3414	-0.245	2.4026	-0.0486	0.1064	0.0456	0.0274	-0.0007	-0.027	0.064	-0.0314	0.0492	0.0167	-0.0107	-0.0258	0.0052	0.0048	0.0187	27.8086	13.4026	71.7031
52	2.8059	2.578	-0.5954	5.1347	0.6987	2.0244	-0.1395	-0.0596	-0.1206	0.0631	0.0647	0.0277	0.1553	-0.0711	0.0748	0.022	0.0071	0.0096	0.0101	0.0128	0.0213	16.3967	7.5665	79.9946
53	2.0801	0.7049	-0.5621	2.1903	-0.471	1.3389	-0.0468	-0.1184	-0.0411	0.1222	0.0344	0.1126	0.012	-0.0982	0.0124	0.0468	0.0314	-0.0013	0.0247	0.0125	0.0074	13.7797	14.4002	85.6319
54	47.1992	-16.0047	3.6641	9.2185	-2.5297	0.7215	0.2453	-0.0521	3.5055	0.3414	-0.3404	-1.2898	0.5846	0.0054	0.0951	0.1012	-0.0281	-0.0603	-0.0622	-0.0633	0.2494	24.4628	30.9861	84.5241
55	0.4634	0.3518	-0.4938	0.4513	-0.481	0.7802	-0.1009	-0.0089	0.0667	0.0697	0.0624	0.0185	-0.0716	-0.0739	0.0385	0.0225	0.0166	-0.0244	-0.0064	0.0195	0.033	13.5219	19.4639	75.6789
56	1.4491	0.49	1.4269	1.547	1.2256	2.1955	-0.0859	-0.103	0.0723	0.0944	0.0095	0.0687	-0.0772	-0.1623	0.0763	0.033	0.038	-0.0081	0.0215	0.0122	0.0097	10.3507	19.3902	82.9296
57	8.8482	0.1264	0.6583	2.3895	1.4574	2.4051	-0.044	-0.5996	0.3184	0.3075	0.0705	-0.0337	-0.1842	0.047	-0.0265	0.0756	0.0306	-0.052	-0.0445	-0.0341	-0.0054	16.0533	27.9727	88.8342
58	1.0463	-0.1942	-0.1571	0.6209	1.2356	8.5058	-0.1458	-0.0279	0.1675	0.1159	0.042	0.1439	-0.1932	-0.2298	0.1038	-0.0064	0.0341	-0.0137	-0.0151	0.0267	0.0307	5.7606	22.7456	74.8034
59	7.9582	7.7305	2.743	8.8841	6.3362	10.7508	-0.3018	0.0782	0.1603	-0.0893	0.0908	0.5509	-0.2548	-0.0376	0.2109	-0.0335	0.0061	-0.0146	0.0106	0.047	0.0623	0.7963	12.9012	66.7418
60	25.7466	1.0605	6.8405	5.0619	-3.2204	4.2615	-0.3644	0.0315	0.3125	0.1987	0.2959	-0.2149	-0.1435	0.212	0.0685	-0.032	-0.0036	-0.0097	0.0027	0.0023	0.0467	-5.6849	8.827	63.804

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION / Selection: ALL

ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	A	A	11 - 14	11 - 14
2	2	A	A	15 - 20	15 - 20
3	3	A	A	21 - 27	21 - 27
4	4	A	A	28 - 51	28 - 51
5	5	A	A	52 - 65	52 - 65
6	6	A	A	66 - 76	66 - 76
7	7	A	A	77 - 82	77 - 82
8	8	A	A	83 - 92	83 - 92
9	9	A	A	93 - 97	93 - 97
10	10	A	A	98 - 107	98 - 107
11	11	A	A	108 - 116	108 - 116
12	12	A	A	117 - 122	117 - 122
13	13	A	A	123 - 128	123 - 128
14	14	A	A	129 - 140	129 - 140
15	15	A	A	141 - 146	141 - 146
16	16	B	B	11 - 14	11 - 14
17	17	B	B	15 - 18	15 - 18
18	18	B	B	19 - 29	19 - 29
19	19	B	B	30 - 47	30 - 47
20	20	B	B	48 - 57	48 - 57
21	21	B	B	58 - 67	58 - 67
22	22	B	B	68 - 76	68 - 76
23	23	B	B	77 - 82	77 - 82
24	24	B	B	83 - 92	83 - 92
25	25	B	B	93 - 104	93 - 104
26	26	B	B	105 - 115	105 - 115
27	27	B	B	116 - 121	116 - 121
28	28	B	B	122 - 129	122 - 129
29	29	B	B	130 - 140	130 - 140
30	30	B	B	141 - 144	141 - 144
31	31	C	C	10 - 13	10 - 13
32	32	C	C	14 - 24	14 - 24
33	33	C	C	25 - 35	25 - 35
34	34	C	C	36 - 48	36 - 48
35	35	C	C	49 - 57	49 - 57
36	36	C	C	58 - 67	58 - 67
37	37	C	C	68 - 77	68 - 77
38	38	C	C	78 - 90	78 - 90
39	39	C	C	91 - 97	91 - 97
40	40	C	C	98 - 111	98 - 111
41	41	C	C	112 - 119	112 - 119
42	42	C	C	120 - 126	120 - 126
43	43	C	C	127 - 130	127 - 130
44	44	C	C	131 - 139	131 - 139
45	45	C	C	140 - 143	140 - 143
46	46	D	D	11 - 14	11 - 14
47	47	D	D	15 - 21	15 - 21
48	48	D	D	22 - 29	22 - 29
49	49	D	D	30 - 46	30 - 46
50	50	D	D	47 - 53	47 - 53
51	51	D	D	54 - 66	54 - 66
52	52	D	D	67 - 78	67 - 78
53	53	D	D	79 - 90	79 - 90
54	54	D	D	91 - 95	91 - 95
55	55	D	D	96 - 107	96 - 107
56	56	D	D	108 - 119	108 - 119
57	57	D	D	120 - 127	120 - 127
58	58	D	D	128 - 137	128 - 137
59	59	D	D	138 - 142	138 - 142
60	60	D	D	143 - 146	143 - 146

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