PDB-6ozh: Crystal structure of Ciona intestinalis (Ci) Endonuclease V in co...

ID or keywords:

Entry

Database: PDB / ID: 6ozh

Title

Crystal structure of Ciona intestinalis (Ci) Endonuclease V in complex with a 24mer DNA containing an inosine followed by a ribo-adenosine

Components

DNA/RNA (5'-D(P*CP*GP*GP*TP*AP*AP*CP*CP*GP*I)-R(P*A)-D(P*TP*AP*TP*GP*CP*AP*GP*CP*AP*TP*TP*TP*C)-3')
endonuclease V isoform X2

Keywords

HYDROLASE / Nucleic acid hydrolysis / RNA recognition / metal ion dependent catalysis / DNA damage / adenosine deamination

Function / homology

Function and homology information

endonuclease activity / DNA repair
Similarity search - Function

Biological species

Ciona intestinalis (vase tunicate)
synthetic construct (others)

Method

X-RAY DIFFRACTION /

MOLECULAR REPLACEMENT / Resolution: 3.026 Å

Authors

Samara, N.L. / Yang, W.

Citation

Journal: Mol.Cell / Year: 2019
Title: Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Authors: Wu, J. / Samara, N.L. / Kuraoka, I. / Yang, W.

History

Deposition	May 15, 2019	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 4, 2019	Provider: repository / Type: Initial release
Revision 1.1	Oct 16, 2019	Group: Data collection / Database references / Category: citation / Item: _citation.journal_volume / _citation.page_first
Revision 1.2	Mar 13, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn 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_asym_id / _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.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_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_asym_id / _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_asym_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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6ozh.cif.gz	482.1 KB	Display	PDBx/mmCIF format
PDB format	pdb6ozh.ent.gz	394.6 KB	Display	PDB format
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Validation report

Summary document	6ozh_validation.pdf.gz	2.8 MB	Display	wwPDB validaton report
Full document	6ozh_full_validation.pdf.gz	2.8 MB	Display
Data in XML	6ozh_validation.xml.gz	35.6 KB	Display
Data in CIF	6ozh_validation.cif.gz	48.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/oz/6ozh ftp://data.pdbj.org/pub/pdb/validation_reports/oz/6ozh	HTTPS FTP

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Related structure data

Related structure data	6ozeC 6ozfC 6ozgC 6oziC 6ozjC 6ozkC 6ozlC 6ozmC 6oznC 6ozoC 6ozpC 6ozqC 6ozrC 6ozsC C: citing same article (ref.)
Similar structure data	3us1-d 4f7l-d 5jip-d 6gzh-d 1m6e-1 5cei-d 3tnh-d 2oaa-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
Related items in Molecule of the Month	#130 - Oct 2010 Riboswitches similarity (1)

Deposited unit

A: endonuclease V isoform X2

B: endonuclease V isoform X2

C: endonuclease V isoform X2

D: endonuclease V isoform X2

E: DNA/RNA (5'-D(P*CP*GP*GP*TP*AP*AP*CP*CP*GP*I)-R(P*A)-D(P*TP*AP*TP*GP*CP*AP*GP*CP*AP*TP*TP*TP*C)-3')

F: DNA/RNA (5'-D(P*CP*GP*GP*TP*AP*AP*CP*CP*GP*I)-R(P*A)-D(P*TP*AP*TP*GP*CP*AP*GP*CP*AP*TP*TP*TP*C)-3')

G: DNA/RNA (5'-D(P*CP*GP*GP*TP*AP*AP*CP*CP*GP*I)-R(P*A)-D(P*TP*AP*TP*GP*CP*AP*GP*CP*AP*TP*TP*TP*C)-3')

H: DNA/RNA (5'-D(P*CP*GP*GP*TP*AP*AP*CP*CP*GP*I)-R(P*A)-D(P*TP*AP*TP*GP*CP*AP*GP*CP*AP*TP*TP*TP*C)-3')

hetero molecules

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

1

A: endonuclease V isoform X2

C: endonuclease V isoform X2

E: DNA/RNA (5'-D(P*CP*GP*GP*TP*AP*AP*CP*CP*GP*I)-R(P*A)-D(P*TP*AP*TP*GP*CP*AP*GP*CP*AP*TP*TP*TP*C)-3')

G: DNA/RNA (5'-D(P*CP*GP*GP*TP*AP*AP*CP*CP*GP*I)-R(P*A)-D(P*TP*AP*TP*GP*CP*AP*GP*CP*AP*TP*TP*TP*C)-3')

hetero molecules

defined by author&software
Evidence: gel filtration
70.4 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: endonuclease V isoform X2

D: endonuclease V isoform X2

F: DNA/RNA (5'-D(P*CP*GP*GP*TP*AP*AP*CP*CP*GP*I)-R(P*A)-D(P*TP*AP*TP*GP*CP*AP*GP*CP*AP*TP*TP*TP*C)-3')

H: DNA/RNA (5'-D(P*CP*GP*GP*TP*AP*AP*CP*CP*GP*I)-R(P*A)-D(P*TP*AP*TP*GP*CP*AP*GP*CP*AP*TP*TP*TP*C)-3')

hetero molecules

defined by author&software
70.4 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	74.245, 121.975, 79.921
Angle α, β, γ (deg.)	90.00, 98.75, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	endonuclease V isoform X2 Mass: 27744.312 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Ciona intestinalis (vase tunicate) / Gene: LOC100181026 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A3Q0JV13
#2: DNA/RNA hybrid	DNA/RNA (5'-D(PCPGPGPTPAPAPCPCPGPI)-R(PA)-D(PTPAPTPGPCPAPGPCPAPTPTPTPC)-3') Mass: 7370.751 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Ca / Feature type: SUBJECT OF INVESTIGATION

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.63 Å³/Da / Density % sol: 53.17 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: 0.2 M sodium acetate, 20% w/v PEG3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1 Å
Detector	Type: RIGAKU SATURN A200 / Detector: CCD / Date: Feb 2, 2014
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 3→50 Å / Num. obs: 27280 / % possible obs: 99.9 % / Redundancy: 4.9 % / Net I/σ(I): 7
Reflection shell	Resolution: 3→3.05 Å / Redundancy: 4.6 % / Mean I/σ(I) obs: 1.3 / Num. unique obs: 1367 / CC_1/2: 0.44 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	(1.10.1_2155: ???)	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 3.026→37.221 Å / SU ML: 0.51 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 32.81

	R_factor	Num. reflection	% reflection
R_free	0.2693	1260	4.65 %
R_work	0.2333	-	-
obs	0.235	27122	98.43 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Refinement step

Cycle: LAST / Resolution: 3.026→37.221 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7569	1684	8	0	9261

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	9588
X-RAY DIFFRACTION	f_angle_d	0.566	13256
X-RAY DIFFRACTION	f_dihedral_angle_d	16.055	5590
X-RAY DIFFRACTION	f_chiral_restr	0.04	1506
X-RAY DIFFRACTION	f_plane_restr	0.003	1389

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
3.0255-3.1466	0.4473	139	0.35	2623	X-RAY DIFFRACTION	91
3.1466-3.2897	0.371	141	0.33	2899	X-RAY DIFFRACTION	100
3.2897-3.4631	0.3482	148	0.2956	2904	X-RAY DIFFRACTION	100
3.4631-3.6799	0.3089	139	0.2737	2915	X-RAY DIFFRACTION	100
3.6799-3.9637	0.2707	149	0.2484	2898	X-RAY DIFFRACTION	100
3.9637-4.362	0.2381	143	0.2112	2912	X-RAY DIFFRACTION	100
4.362-4.9919	0.2261	142	0.1859	2912	X-RAY DIFFRACTION	100
4.9919-6.2844	0.2097	137	0.2034	2934	X-RAY DIFFRACTION	100
6.2844-37.224	0.2235	122	0.1805	2865	X-RAY DIFFRACTION	96

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	6.6562	2.1478	-1.3581	7.8461	-0.9731	3.1987	-0.0333	0.0783	-0.963	-0.9682	-0.6536	-1.1012	0.8159	0.9139	0.6963	0.6493	0.061	0.175	0.6485	0.0347	0.5818	1.1229	9.3906	-22.1946
2	2.09	-1.8302	1.0167	4.9906	-0.0488	2.6256	-0.4014	0.2425	0.1611	-0.2094	0.2018	0.0805	-0.0219	0.2917	0.1795	0.3889	-0.1064	0.0153	0.5557	0.2266	0.4952	-12.6756	10.4357	-4.6476
3	3.9418	1.2155	-0.2215	1.4714	-0.0091	2.537	0.039	-0.566	-0.2906	0.2901	-0.4392	-0.1155	0.0164	0.4663	0.321	0.5277	-0.0432	0.0923	0.3345	0.0517	0.7545	-9.1563	14.6232	-3.2555
4	2.1293	0.5298	-1.4528	7.5408	-3.3104	4.0923	-0.2813	-0.5162	-0.6228	1.0004	-0.1016	-1.4319	-0.4006	0.9749	0.3668	0.4027	0.0469	-0.0711	0.7597	0.2558	0.7588	-3.7419	8.8702	-3.4072
5	2.3822	1.6929	-0.2137	4.0547	-0.2026	3.2983	0.1008	-0.1311	-0.161	-0.5774	-0.126	0.0652	0.4648	-0.1325	0.0158	0.334	-0.0061	-0.0513	0.3758	0.0446	0.5021	-12.7435	9.809	-14.1355
6	8.4053	-1.0974	0.0258	8.9282	0.2034	7.5524	0.1926	0.9612	0.2767	-1.502	-0.0462	0.7371	-0.0359	-0.2647	-0.0627	0.6936	0.0013	-0.1971	0.5384	0.0067	0.4854	-26.1989	16.8977	-24.5567
7	4.1954	-0.4248	0.735	1.9807	-0.5672	3.08	-0.1662	-0.576	-0.1025	0.0467	-0.184	0.2254	-0.2098	-0.158	0.3624	0.3373	-0.054	0.0053	0.4077	0.044	0.5438	-19.8016	16.6357	-6.2867
8	5.0928	2.4887	-0.7824	5.1817	-0.5691	8.4124	-0.5927	-0.655	-0.6743	-1.0524	-0.0616	-1.3613	1.0294	1.4339	0.2998	0.5306	0.1145	0.1961	0.778	-0.0769	0.5844	31.1607	9.1126	17.721
9	3.2463	1.6069	1.4639	4.2235	-0.9601	4.2642	0.1335	-0.3056	-0.3401	0.3723	0.0996	-0.1526	0.1717	-0.3826	-0.1266	0.4024	0.0854	0.0851	0.3201	-0.0138	0.6725	12.7537	5.0156	32.9756
10	3.3124	2.162	2.4888	3.9847	-1.4993	5.1166	0.2592	-0.1099	0.0672	0.2053	-0.4753	-0.6098	0.3635	0.6871	0.1831	0.5015	0.1213	-0.0151	0.2455	-0.0042	0.6736	22.4307	16.4823	37.5256
11	2.9162	2.9453	-2.0193	7.8968	-5.5045	8.3644	-0.445	-0.7136	-0.819	0.6324	-0.1435	-1.5061	0.0792	1.2803	0.5513	0.5034	0.2263	-0.0092	0.5458	0.041	0.624	26.2698	8.8093	36.4721
12	3.4933	1.0703	-1.3622	3.7297	1.0974	2.9441	-0.1822	0.4921	-0.4357	-0.4363	0.2172	-0.3961	0.6757	-0.0732	-0.0163	0.4975	-0.0076	0.0368	0.3523	0.0304	0.4532	17.1884	9.9285	25.7122
13	8.6708	4.6326	-6.3742	9.5544	-3.0672	4.6913	0.0029	2.3533	0.2081	-0.8806	0.3605	1.4156	0.4205	-1.0561	-0.3922	0.7074	-0.0208	-0.1055	0.5371	0.1314	0.5521	1.4263	23.2113	15.6356
14	6.2873	0.4983	-0.7927	5.7477	-4.6489	6.8923	-0.7113	1.4774	-0.5098	-0.9044	0.0933	1.2699	1.3551	-0.2286	0.3636	0.6879	-0.1163	-0.1085	0.4636	-0.0147	0.828	6.3726	12.1545	14.9334
15	6.4451	-1.311	0.8039	2.1438	-0.2448	3.6795	0.1421	0.1732	-0.2272	-0.3905	-0.2155	0.4154	0.1048	-0.6253	0.1135	0.4215	-0.0598	-0.0995	0.4023	-0.0134	0.5515	5.567	13.9329	28.7891
16	3.6409	3.8131	2.6303	7.1305	2.602	5.6112	-0.7317	-0.4605	-0.1778	0.084	0.4771	-0.0574	-0.0649	0.576	0.2604	0.4318	0.2225	-0.0021	0.5376	0.003	0.5245	19.2003	22.2901	42.2294
17	5.3563	-3.6949	3.1155	3.5436	-1.3419	6.6619	-1.4943	-1.6814	-0.2258	1.5941	1.3534	-0.5579	0.2217	-1.4372	0.1403	1.4026	0.0577	0.3551	1.1913	-0.1446	0.7899	-28.248	54.6813	25.2133
18	2.4577	0.6445	0.1516	2.5081	-2.2111	4.8237	0.1075	-0.2877	0.4121	-0.0088	-0.5207	1.4226	-0.6354	0.0642	0.3674	0.6062	-0.0009	-0.0462	0.4291	-0.2068	0.9169	-13.5377	60.2095	7.2747
19	3.7351	2.2804	-0.4301	6.3187	1.0548	0.4159	0.9868	-1.2961	-0.3273	1.8231	-1.1197	-0.433	0.1629	0.8282	0.0754	0.8026	-0.1838	-0.1824	0.5034	0.1879	0.5532	-11.7079	40.717	12.8293
20	3.3767	-1.1306	1.0056	5.4582	-1.2021	0.7892	-0.1034	-0.1325	-0.2595	0.1184	-0.4319	-1.0868	0.3762	0.0334	0.4597	0.5776	-0.0175	-0.0529	0.4374	-0.0451	0.5491	-10.3831	47.1031	10.2791
21	2.505	1.8814	-0.4275	7.0763	-0.5922	4.3346	0.3426	-0.5847	0.0366	1.3318	-0.5813	0.0447	-0.6505	-0.4729	0.1258	0.6683	-0.0307	0.1246	0.4633	-0.1073	0.3942	-15.5971	54.6109	14.1423
22	1.4278	-1.0869	-1.2967	1.62	0.7615	1.2588	0.2884	0.0177	1.2013	-0.4144	-0.6657	0.4555	-0.1898	-0.1845	-0.0812	0.5794	0.3641	0.4445	0.7496	-0.1213	1.1206	-35.6503	51.8457	7.6648
23	3.2825	-1.5652	-2.6299	5.5174	-0.2133	4.7768	-0.3782	0.4396	-0.5162	-0.6486	-0.0754	1.3653	-0.4628	-1.0372	0.4954	0.4787	0.1617	-0.1236	0.5848	-0.1426	0.6771	-30.4834	56.6039	-1.8203
24	5.8785	0.8534	1.4864	3.7687	-1.8135	5.2994	0.422	-0.0707	-0.3747	-0.7816	-0.0181	-0.2499	0.7719	0.0888	-0.333	0.3992	-0.0408	-0.0804	0.3472	-0.0705	0.5777	-13.3715	47.1591	2.2565
25	3.8562	-0.1313	0.912	0.4452	0.5206	0.914	0.0158	-0.7828	1.0695	0.1148	-0.4956	0.3324	-0.9659	-1.2293	-0.3689	1.1983	0.0933	0.5164	0.6177	-0.5491	0.3562	5.6371	55.1604	65.7886
26	4.9303	3.7044	-1.553	4.082	-3.6852	5.4086	-0.1348	-0.0468	0.4274	0.4934	0.0292	0.2478	-1.0877	0.1809	0.0121	0.4212	0.0607	0.1184	0.4263	-0.0623	0.4689	19.1049	60.3353	47.0342
27	4.282	0.5593	1.8517	5.5266	0.3002	5.3962	0.0498	-0.616	-0.7919	0.6496	-0.381	-1.1857	-0.3745	-0.5164	0.4451	0.3334	0.0078	-0.015	0.4848	0.0914	0.6794	21.5119	44.8284	48.1225
28	3.7263	-0.3982	0.5952	1.5926	-1.0312	0.6516	-0.8019	-0.117	0.206	0.3984	0.1327	-0.5398	0.4085	-0.5823	0.3855	0.6186	0.0379	0.0976	0.4748	-0.0956	0.2701	18.6963	44.9051	54.1579
29	8.6417	5.0025	-2.0389	6.6491	-2.9636	1.3075	0.8474	-2.0496	-0.3936	0.7238	-0.9097	-0.2778	-0.2393	0.0153	0.0912	0.4446	-0.0454	0.0733	0.5812	0.0042	0.3225	22.272	50.2963	57.3993
30	6.1289	0.5185	-1.4787	1.8792	-0.7226	3.4303	-0.2618	-0.7018	0.367	0.1209	-0.3499	-0.0065	-0.7815	-0.6433	0.4032	0.4454	0.1	-0.0207	0.353	-0.1689	0.3801	15.5078	57.4451	51.9233
31	3.7218	-1.3621	1.2114	4.9428	2.3809	5.2545	-0.15	0.161	-0.2006	-0.6194	-0.635	1.3913	-0.0344	-1.7566	0.7815	0.517	0.0045	-0.0522	0.878	-0.1834	0.6901	-3.9225	53.4049	40.6961
32	5.3522	1.3164	-3.019	7.5663	0.019	1.7828	-0.2493	-0.8758	0.4654	-0.5993	0.1837	2.2012	-1.0907	-0.67	-0.1516	0.3948	0.2947	-0.161	0.9643	-0.1182	0.508	-0.5264	61.8181	42.5067
33	3.8225	1.7954	3.4212	6.6643	1.2627	4.4507	-0.0114	0.2185	0.2825	-1.1656	0.1335	-0.06	-0.4756	0.0398	0.0285	0.3436	0.1657	0.091	0.4574	0.0451	0.4301	11.3318	56.0446	38.4153
34	7.0541	-3.3635	1.4812	7.6272	-5.5841	8.3924	0.1453	-0.4268	-0.4948	-1.5685	0.2445	-0.3279	1.4034	0.402	-0.4428	0.5001	0.1153	-0.0248	0.453	-0.0554	0.3314	22.2049	39.5471	45.2786
35	7.9828	-2.0927	0.7831	0.9678	1.33	5.7801	3.0269	0.4261	-0.7556	0.0923	-0.9394	-0.3392	-2.7875	3.0224	-1.4997	1.4762	-0.5447	-0.036	1.1178	0.0967	1.6293	-3.9644	28.2965	-29.3845
36	3.0658	-0.3403	-1.1244	3.7165	1.0808	1.4408	0.1059	-0.5839	0.9791	0.6511	0.0204	-0.0835	0.4733	-0.4868	-0.0339	0.6164	-0.0614	-0.0046	0.7755	-0.0422	0.6096	-20.0232	33.6742	-2.5526
37	3.8661	5.0688	-4.9695	6.8428	-6.3739	6.4333	1.796	0.3893	-2.2591	0.4744	-1.1325	-1.6464	-2.1947	2.5281	-0.8265	1.1205	-0.3438	0.0394	1.3981	-0.1611	1.6498	26.3591	28.2183	10.1768
38	7.1767	1.8429	2.311	9.1231	-0.9074	4.1773	-0.3059	-0.5942	-0.4449	-1.0744	0.6494	-0.0746	-0.662	-0.2687	-0.4092	0.6859	0.0857	-0.008	0.346	-0.0174	0.6331	20.6905	29.4955	31.2663
39	3.6785	2.6225	0.3406	2.3847	-1.8178	6.6701	0.2021	-0.0943	0.9783	0.2899	0.2542	0.5325	0.4314	-1.722	-0.4373	0.5106	0.0072	0.0656	0.8281	0.0064	0.6911	4.8241	36.875	41.3466
40	7.7585	5.7354	1.1184	5.7288	-0.9323	2.0297	1.3002	-0.4649	1.6928	0.4779	-0.0833	2.409	1.2731	-1.4633	-1.3295	1.3012	-0.367	0.1057	1.1993	0.3892	1.6586	-41.901	37.5292	7.8658
41	3.9435	2.8848	0.4226	4.0655	-2.4382	3.7056	-0.2276	0.3171	0.4737	-0.1287	0.3709	-0.4383	0.6135	0.0561	-0.0741	0.6628	0.0083	-0.0051	0.5328	-0.1267	0.7038	-17.555	31.8234	-6.9924
42	6.604	2.1891	1.9589	1.1575	-0.0085	1.3681	0.5377	0.173	1.6682	0.5614	0.5027	2.3032	1.1225	-1.2741	-0.7187	1.1295	-0.442	0.1267	1.2999	0.3356	1.8429	-9.9516	37.6735	47.5916
43	1.8242	0.6159	2.0431	0.9152	-0.1865	3.1761	-0.0412	0.3137	-0.0836	-0.2583	-0.3053	-0.2446	0.1355	-0.0254	0.3293	0.7471	0.0568	-0.0045	0.5559	-0.0089	0.8075	13.3291	32.0437	32.8586

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 5 through 23 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 24 through 62 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 63 through 86 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 87 through 105 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 106 through 157 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 158 through 191 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 192 through 245 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 5 through 23 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 24 through 46 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 47 through 86 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 87 through 105 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 106 through 157 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 158 through 171 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 172 through 191 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 192 through 227 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 228 through 245 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 6 through 23 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 24 through 46 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 47 through 62 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 63 through 83 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 84 through 145 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 146 through 157 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 158 through 210 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 211 through 245 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 7 through 23 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 24 through 46 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 47 through 66 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 67 through 86 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 87 through 105 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 106 through 145 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 146 through 171 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 172 through 191 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 192 through 227 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 228 through 245 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 5 through 9 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 11 through 23 )
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 5 through 9 )
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 11 through 15 )
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 16 through 23 )
40	X-RAY DIFFRACTION	40	chain 'G' and (resid 1 through 12 )
41	X-RAY DIFFRACTION	41	chain 'G' and (resid 13 through 23 )
42	X-RAY DIFFRACTION	42	chain 'H' and (resid 1 through 12 )
43	X-RAY DIFFRACTION	43	chain 'H' and (resid 13 through 23 )

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