PDB-4e0g: Protelomerase tela/DNA hairpin product/vanadate complex

ID or keywords:

Entry

Database: PDB / ID: 4e0g

Title

Protelomerase tela/DNA hairpin product/vanadate complex

Components

DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*A)-3')
DNA (5'-D(*TP*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3')
Protelomerase

Keywords

DNA BINDING PROTEIN/DNA / PROTELEMORASE / DNA PAIRPIN / DNA HAIRPIN / DNA BINDING PROTEIN-DNA complex

Function / homology

Function and homology information

Helix Hairpins - #1780 / Telomere resolvase / Telomere resolvase ResT / Telomere resolvase ResT superfamily / Telomere resolvase ResT/TelK catalytic domain / hpI Integrase; Chain A / Helix Hairpins / Helix non-globular / Special / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology

Biological species

Agrobacterium tumefaciens (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.2 Å

Authors

Shi, K. / Aihara, H.

Citation

Journal: Plos Biol. / Year: 2013
Title: An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Authors: Shi, K. / Huang, W.M. / Aihara, H.

History

Deposition	Mar 3, 2012	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 13, 2013	Provider: repository / Type: Initial release
Revision 1.1	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_conn / 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_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 / _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	4e0g.cif.gz	198.2 KB	Display	PDBx/mmCIF format
PDB format	pdb4e0g.ent.gz	153 KB	Display	PDB format
PDBx/mmJSON format	4e0g.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/e0/4e0g ftp://data.pdbj.org/pub/pdb/validation_reports/e0/4e0g	HTTPS FTP

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Related structure data

Related structure data	4dwpC 4e0jC 4e0pC 4e0yC 4e0zC 4e10C C: citing same article (ref.)
Similar structure data	4e10-1 4e0y-1 1xd2-d 6bvk-d 6d5w-d 6cur-d 6d59-d 6d5e-d 6d5j-d 5wfq-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 - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#67 - Jul 2005 TATA-Binding Protein similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1) #91 - Jul 2007 Thymine Dimers similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #253 - Jan 2021 Expressome similarity (1) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #135 - Mar 2011 Integrase similarity (1) #150 - Jun 2012 Sliding Clamps similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #227 - Nov 2018 Telomerase similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (1) #84 - Dec 2006 Transposase similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #119 - Nov 2009 Designed DNA Crystal similarity (1) #125 - May 2010 Parvoviruses similarity (1) #131 - Nov 2010 Inteins similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #23 - Nov 2001 DNA similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

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Deposited unit

A: Protelomerase

C: DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*A)-3')

D: DNA (5'-D(*TP*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3')

hetero molecules

62.5 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Protelomerase

C: DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*A)-3')

D: DNA (5'-D(*TP*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3')

hetero molecules

A: Protelomerase

C: DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*A)-3')

D: DNA (5'-D(*TP*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3')

hetero molecules

defined by author&software
125 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	117.880, 120.200, 58.040
Angle α, β, γ (deg.)	90.00, 111.85, 90.00
Int Tables number	5
Space group name H-M	C121

#1: Protein	Protelomerase Mass: 52568.188 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Agrobacterium tumefaciens (bacteria) / Strain: C58 / ATCC 33970 / Gene: telA, Atu2523 / Production host: Escherichia coli (E. coli) / References: UniProt: Q7CWV1
#2: DNA chain	DNA (5'-D(CPAPTPAPAPTPAPAPCPAPAPTPA)-3') Mass: 3951.639 Da / Num. of mol.: 1 / Source method*: obtained synthetically
#3: DNA chain	DNA (5'-D(TPCPAPTPGPAPTPAPTPTPGPTPTPAPTPTPAPTPG)-3') Mass: 5839.804 Da / Num. of mol.: 1 / Source method*: obtained synthetically
#4: Chemical	ChemComp-VO4 / VANADATE ION Mass: 114.939 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: VO₄
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 405 / 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: 3.06 Å³/Da / Density % sol: 59.8 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.4 Details: 5% (w/v) PEG 4000, 10mM Tris-HCl, 300mM NaCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 96 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.979 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Feb 10, 2010
Radiation	Monochromator: Si 111 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 1.99→50 Å / Num. all: 51367 / Num. obs: 51367 / % possible obs: 82 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0
Reflection shell	Resolution: 1.99→2.03 Å / % possible all: 69.2

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Processing

Software

Name	Version	Classification
ADSC	Quantum	data collection
PHASER		phasing
PHENIX	(phenix.refine: 1.7.3_928)	refinement
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.2→40.115 Å / SU ML: 0.22 / σ(F): 0 / Phase error: 24.82 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.238	1567	5.17 %
R_work	0.1939	-	-
obs	0.1962	30327	79.65 %
all	-	30329	-

Solvent computation

Shrinkage radii: 0.6 Å / VDW probe radii: 0.9 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 50.039 Å² / k_sol: 0.364 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	2.56 Å²	0 Å²	1.7236 Å²
2-	-	3.5032 Å²	-0 Å²
3-	-	-	-11.6775 Å²

Refinement step

Cycle: LAST / Resolution: 2.2→40.115 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	2533	650	3	405	3591

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	3427
X-RAY DIFFRACTION	f_angle_d	1.084	4790
X-RAY DIFFRACTION	f_dihedral_angle_d	20.453	1341
X-RAY DIFFRACTION	f_chiral_restr	0.072	524
X-RAY DIFFRACTION	f_plane_restr	0.004	498

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 (%)
2.2-2.271	0.2506	85	0.201	1506	X-RAY DIFFRACTION	46
2.271-2.3522	0.2515	112	0.2129	1708	X-RAY DIFFRACTION	53
2.3522-2.4463	0.2935	105	0.2267	1957	X-RAY DIFFRACTION	60
2.4463-2.5577	0.287	118	0.2378	2274	X-RAY DIFFRACTION	69
2.5577-2.6925	0.297	139	0.246	2499	X-RAY DIFFRACTION	77
2.6925-2.8611	0.3402	158	0.2478	2847	X-RAY DIFFRACTION	87
2.8611-3.082	0.2947	163	0.2434	3207	X-RAY DIFFRACTION	97
3.082-3.392	0.2665	177	0.2097	3220	X-RAY DIFFRACTION	98
3.392-3.8824	0.2291	184	0.1726	3220	X-RAY DIFFRACTION	98
3.8824-4.8901	0.1679	168	0.1334	3170	X-RAY DIFFRACTION	97
4.8901-40.1212	0.161	158	0.1688	3152	X-RAY DIFFRACTION	94

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	7.3786	-1.363	1.5663	6.7661	1.6117	5.0618	-0.0883	0.1452	0.1051	0.178	0.0885	-0.6288	-0.091	0.285	-0.0242	0.2329	0.0612	0.0203	0.2745	-0.0119	1.0476	33.8361	-30.6447	0.9608
2	1.314	-0.6028	-0.0787	2.1783	-0.0142	0.8128	-0.1727	-0.1524	-0.4927	0.2544	-0.0632	-0.2022	0.1904	0.0857	0.0695	0.1528	0.1347	-0.1511	0.0283	0.1083	0.8181	21.1489	-33.1823	6.0104
3	0.3728	-1.382	-0.079	8.5217	-0.3234	0.4464	-0.0231	-0.1933	-0.2033	0.3906	0.0073	0.1351	0.1121	0.0202	0.0214	0.2174	0.0495	0.0457	0.2353	-0.0539	-0.0013	4.7153	-14.2304	9.9777
4	1.5309	-0.5561	0.0771	1.299	0.1743	0.4746	-0.0088	0.1525	0.9128	-0.1171	-0.0101	-1.0361	-0.1326	0.0549	-0.0184	0.0898	-0.1632	0.1026	-0.0633	0.07	0.5379	20.3157	0.6273	-2.7401
5	6.4568	-6.031	-3.2068	5.6317	2.9956	1.5918	0.1265	0.3402	-0.3876	0.0367	-0.4988	1.6153	-0.2727	-0.8924	0.3848	0.5273	-0.0391	0.1018	0.4488	-0.3035	0.9351	1.6458	14.8801	8.042
6	3.3502	3.0582	-4.3921	6.7374	-5.3605	6.997	-0.0213	0.0546	0.0268	-0.2274	0.1413	-0.4241	0.1888	0.0251	-0.1119	0.2032	-0.0692	-0.0244	0.174	-0.1068	0.4055	10.2469	-15.3864	-4.9882
7	2.0001	1.9821	-4.2743	5.8236	0.396	8.7702	-0.0542	-0.2472	0.74	-0.04	-0.0793	0.2605	-0.3606	-0.2664	0.121	0.2647	-0.089	-0.1625	0.3088	-0.1552	0.4551	6.6776	-18.4351	-5.3258
8	1.8703	3.9567	-1.0523	8.3738	-2.1224	3.4188	-0.0402	-0.1007	-0.6323	0.108	-0.0847	0.3061	0.054	-0.1332	0.1183	0.2665	-0.1104	-0.1141	0.358	0.0113	0.7538	3.0842	-21.4147	-3.1219
9	2.1112	0.3225	0.7616	0.0489	0.116	0.2742	0.3654	-0.6816	-1.134	0.2411	-0.008	-0.0101	0.6452	-0.2844	-0.3795	0.2222	-0.0775	-0.2385	0.4496	0.1858	0.5552	5.9905	-23.9796	0.2881
10	7.3501	1.9998	-5.0201	1.9999	2.0001	7.3842	0.1363	0.0172	-0.8342	0.2293	-0.1162	0.9808	1.1358	-0.6354	-0.0187	0.2674	-0.1147	-0.1191	0.1996	0.0652	0.1661	10.5902	-23.8848	1.5181
11	5.3149	2.4541	-4.0602	2	-6.8714	2.0001	0.0001	0.0358	-0.1112	-0.3283	-0.1431	0.1737	-0.0057	-0.1245	0.1382	0.1076	0.0266	-0.0594	0.0774	-0.066	0.3134	15.2986	-21.8626	0.4445
12	0.7719	-2.4027	0.1289	7.4781	-0.4012	0.0216	0.0575	0.2316	-0.1089	-0.6296	0.1314	-0.3046	-0.1105	0.0886	-0.1973	0.1572	-0.0906	-0.0398	0.1154	-0.0813	0.2338	18.6616	-17.9241	-0.4578
13	2.4751	1.171	-1.6936	0.6244	-0.5366	2.15	0.1132	-0.32	-0.2442	0.0646	-0.1871	0.0004	0.1706	-0.0596	0.0713	0.092	-0.0504	-0.0907	0.2537	0.0015	0.371	21.0698	-14.0557	0.3741
14	7.1087	-1.0558	0.3255	3.7987	4.5716	8.8464	0.0421	0.1085	-0.0571	-0.0621	0.0616	-0.0687	0.0071	0.057	-0.0897	0.1704	-0.0397	-0.2371	0.1501	0.0013	0.4571	22.0845	-10.4686	4.1798
15	3.7061	1.2876	-1.6279	0.7979	0.1926	2.3546	-0.0556	-0.0544	0.1052	0.1404	0.0317	0.3813	-0.192	-0.1459	0.0299	0.1886	-0.1346	-0.1866	0.3056	-0.0974	0.3482	22.5067	-9.7148	9.7014
16	3.9359	3.417	0.8415	3.4565	2.7748	8.7062	-0.2119	-0.0508	0.5124	-0.0292	-0.1557	0.3956	-0.3811	-0.461	0.3751	0.3066	-0.0116	-0.2516	0.4608	-0.0987	0.4293	24.1047	-10.0056	14.34
17	6.6275	-3.0399	-1.7723	8.6512	3.3581	7.4103	-0.0284	-0.3515	0.059	0.0768	-0.0524	0.3172	-0.0064	-0.6914	0.0885	0.4187	-0.0629	-0.3418	0.6641	-0.0298	0.464	26.4303	-12.2192	18.4634
18	7.9095	3.2285	-2.8515	9.4706	-2.0432	8.3752	0.0244	-0.9276	-0.3673	0.193	0.1176	0.4693	0.3882	-1.033	-0.1486	0.4892	-0.0179	-0.4769	0.5662	0.0673	0.5472	29.1716	-16.238	21.1211
19	6.5222	7.7221	-2.802	9.1452	-3.4716	1.9998	0.404	-0.3466	-1.2769	0.0448	-0.212	-0.0303	0.8289	0.2244	-0.1983	0.5449	0.184	-0.4336	0.9397	0.1659	0.894	32.7391	-19.3751	21.8163
20	2.0001	-9.7708	-1.3905	7.0289	-0.1412	1.9999	0.6398	-0.145	-1.7782	-0.3529	-0.1689	1.0909	0.8459	-0.9007	-0.4809	0.4742	0.1004	-0.3794	0.8653	0.0773	0.9864	37.4762	-20.9167	20.7013
21	4.6048	1.9698	5.5098	1.9999	6.9204	8.0856	0.414	0.2709	-1.0633	-0.002	0.0098	-0.266	0.5408	0.6152	-0.4414	0.5372	0.0265	-0.5113	0.8821	-0.0267	1.0909	42.4807	-20.59	19.9254
22	6.5829	-7.0558	-4.8508	8.911	7.3437	7.5895	0.5798	0.6857	-1.1159	0.0636	0.013	-1.0593	0.6205	0.7535	-0.5981	0.621	0.0549	-0.5408	1.0271	-0.1491	1.2493	46.7948	-18.604	19.8199
23	7.1843	-1.3661	-8.9838	0.2593	1.7084	1.9999	0.1721	2.0417	-0.6589	-0.7179	0.4397	0.1586	0.7431	0.8174	-0.6151	0.8999	-0.1123	-0.725	1.1607	0.001	1.2527	52.1433	-15.5131	22.4558
24	9.4845	-1.1848	2.0001	3.8439	4.1717	2	-1.6065	-0.9775	4.0738	0.3325	0.1902	0.6199	-2.9971	-1.4291	1.4244	0.9095	0.1623	-0.6672	0.9005	-0.0746	1.3003	47.2645	-12.4838	31.2321
25	2	3.5917	1.2059	1.9999	6.0623	7.4595	-0.7867	-2.1804	2.4144	1.5505	-0.1574	-0.832	-1.2766	-0.033	0.9545	0.9325	0.1309	-0.7551	1.1241	-0.1216	1.2817	42.8476	-11.1945	27.792
26	2	4.5035	-4.8664	9.9103	-9.6176	9.3631	-1.1742	-1.5571	3.8149	1.1881	-0.5397	-0.5553	-2.9293	1.3046	1.7262	1.0404	0.0247	-0.7577	1.0751	-0.1051	1.413	40.9644	-9.4604	23.5076
27	2	2	2.0001	1.9999	1.9998	1.9999	-0.1011	-2.6457	2.8019	2.1708	-1.403	-1.2246	-2.6039	1.3119	1.5104	0.9197	-0.1053	-0.6465	0.852	0.1186	1.1236	40.4669	-10.1526	17.9514
28	2	-9.4342	-5.1702	5.8319	1.9595	1.9999	-0.641	0.9936	3.4148	0.0755	0.1519	-0.8914	-1.3151	1.6118	0.497	0.4757	-0.0424	-0.4353	0.607	0.0582	0.9561	39.1633	-12.5867	14.4098
29	2	1.9999	-0.7631	8.8488	2.9381	9.6769	0.0434	0.5875	0.3309	0.2343	0.196	-1.1193	0.0053	0.7271	-0.2473	0.3777	-0.0909	-0.3952	0.4883	0.049	0.9063	36.7189	-16.0425	12.1149
30	6.5249	4.6548	3.759	7.5442	0.1162	4.4346	0.334	0.4962	-0.7702	0.2218	0.1199	-1.1891	0.5788	0.4141	-0.4613	0.2704	0.0456	-0.3546	0.3786	-0.0534	0.7158	32.7251	-18.9423	11.2425
31	7.4525	2.1806	3.9115	3.9831	-0.6643	5.7739	0.1231	0.1513	-0.3747	0.0248	-0.0702	-0.0479	0.1747	0.1889	-0.0571	0.186	-0.0178	-0.2495	0.3845	0.0894	0.5796	28.3046	-20.8349	13.0256
32	0.7162	-1.3173	1.2531	2.4466	-2.4308	2.8614	0.2117	-0.7581	-1.08	0.06	0.198	0.1227	0.7163	0.2023	-0.4149	0.251	0.0506	-0.2653	0.4003	0.0352	0.643	24.2509	-20.321	15.1439
33	2	4.5251	-1.7974	3.3359	3.4476	2.0001	0.1972	-0.3476	-0.3206	0.2036	-0.0498	-0.152	0.3343	0.3198	-0.1434	0.259	-0.0576	-0.2081	0.3704	0.009	0.3915	20.0925	-17.3817	13.9206
34	3.3126	-1.5999	-0.4135	2.3372	1.0912	0.5592	-0.0252	-0.3845	-0.0804	0.1903	0.1302	-0.0507	0.181	0.0268	-0.1009	0.1941	0.0267	-0.2076	0.4	0.0223	0.3325	16.5914	-14.5714	11.79
35	4.4854	2.4178	4.0411	9.6097	4.3831	4.2257	-0.0708	-0.058	0.1169	0.0514	0.0337	-0.0059	0.0182	-0.0612	0.0369	0.1785	0.0327	-0.188	0.1515	-0.1036	0.4335	14.1713	-11.8767	8.4306
36	4.9092	1.3444	0.6989	2.0001	-2.0768	1.8852	0.0051	-0.4091	0.3981	0.3088	-0.0688	0.1998	-0.2901	-0.0381	0.0481	0.1777	0.0096	-0.0078	0.131	-0.0584	0.0446	12.847	-10.8066	3.4657
37	0.4835	-0.2861	-0.4983	0.1691	0.2948	0.5132	-0.0874	0.0673	-0.0794	-0.1166	0.0355	-0.0755	0.0864	-0.0279	0.0582	0.1521	-0.0962	-0.0268	0.1166	-0.031	0.2544	11.3843	-13.2846	-1.0332

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain A and resid 103:122
2	X-RAY DIFFRACTION	2	chain A and resid 124:195
3	X-RAY DIFFRACTION	3	chain A and resid 197:219
4	X-RAY DIFFRACTION	4	chain A and resid 220:409
5	X-RAY DIFFRACTION	5	chain A and resid 410:421
6	X-RAY DIFFRACTION	6	chain C and resid 15:15
7	X-RAY DIFFRACTION	7	chain C and resid 16:16
8	X-RAY DIFFRACTION	8	chain C and resid 17:17
9	X-RAY DIFFRACTION	9	chain C and resid 18:18
10	X-RAY DIFFRACTION	10	chain C and resid 19:19
11	X-RAY DIFFRACTION	11	chain C and resid 20:20
12	X-RAY DIFFRACTION	12	chain C and resid 21:21
13	X-RAY DIFFRACTION	13	chain C and resid 22:22
14	X-RAY DIFFRACTION	14	chain C and resid 23:23
15	X-RAY DIFFRACTION	15	chain C and resid 24:24
16	X-RAY DIFFRACTION	16	chain C and resid 25:25
17	X-RAY DIFFRACTION	17	chain C and resid 26:26
18	X-RAY DIFFRACTION	18	chain C and resid 27:27
19	X-RAY DIFFRACTION	19	chain C and resid 28:28
20	X-RAY DIFFRACTION	20	chain C and resid 29:29
21	X-RAY DIFFRACTION	21	chain C and resid 30:30
22	X-RAY DIFFRACTION	22	chain C and resid 31:31
23	X-RAY DIFFRACTION	23	chain C and resid 32:32
24	X-RAY DIFFRACTION	24	chain C and resid 1:1
25	X-RAY DIFFRACTION	25	chain C and resid 2:2
26	X-RAY DIFFRACTION	26	chain C and resid 3:3
27	X-RAY DIFFRACTION	27	chain C and resid 4:4
28	X-RAY DIFFRACTION	28	chain C and resid 5:5
29	X-RAY DIFFRACTION	29	chain C and resid 6:6
30	X-RAY DIFFRACTION	30	chain C and resid 7:7
31	X-RAY DIFFRACTION	31	chain C and resid 8:8
32	X-RAY DIFFRACTION	32	chain C and resid 9:9
33	X-RAY DIFFRACTION	33	chain C and resid 10:10
34	X-RAY DIFFRACTION	34	chain C and resid 11:11
35	X-RAY DIFFRACTION	35	chain C and resid 12:12
36	X-RAY DIFFRACTION	36	chain C and resid 13:13
37	X-RAY DIFFRACTION	37	chain C and resid 14:14

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