PDB-3tws: Crystal structure of ARC4 from human Tankyrase 2 in complex with ...

ID or keywords:

Entry

Database: PDB / ID: 3tws

Title

Crystal structure of ARC4 from human Tankyrase 2 in complex with peptide from human TERF1 (chimeric peptide)

Components

Tankyrase-2
human TERF1

Keywords

SIGNALING PROTEIN/PEPTIDE / ankyrin repeat / protein-protein interaction / substrate recruitment / poly(ADP-ribosyl)ation / SIGNALING PROTEIN-PEPTIDE complex

Function / homology

Function and homology information

XAV939 stabilizes AXIN / NAD+ ADP-ribosyltransferase / negative regulation of telomere maintenance via telomere lengthening / protein auto-ADP-ribosylation / protein localization to chromosome, telomeric region / protein poly-ADP-ribosylation / pericentriolar material / NAD+-protein ADP-ribosyltransferase activity / positive regulation of telomere capping / Transferases; Glycosyltransferases; Pentosyltransferases ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

FOURIER SYNTHESIS / Resolution: 1.7 Å

Authors

Guettler, S. / Sicheri, F.

Citation

Journal: Cell(Cambridge,Mass.) / Year: 2011
Title: Structural basis and sequence rules for substrate recognition by tankyrase explain the basis for cherubism disease.
Authors: Guettler, S. / Larose, J. / Petsalaki, E. / Gish, G. / Scotter, A. / Pawson, T. / Rottapel, R. / Sicheri, F.

History

Deposition	Sep 22, 2011	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 7, 2011	Provider: repository / Type: Initial release
Revision 1.1	Dec 28, 2011	Group: Database references
Revision 1.2	Jul 17, 2019	Group: Data collection / Derived calculations / Refinement description Category: software / struct_conn Item: _software.classification / _software.name ..._software.classification / _software.name / _software.version / _struct_conn.pdbx_leaving_atom_flag

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3tws.cif.gz	285.3 KB	Display	PDBx/mmCIF format
PDB format	pdb3tws.ent.gz	245.2 KB	Display	PDB format
PDBx/mmJSON format	3tws.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	3tws_validation.pdf.gz	1.3 MB	Display	wwPDB validaton report
Full document	3tws_full_validation.pdf.gz	1.3 MB	Display
Data in XML	3tws_validation.xml.gz	33.3 KB	Display
Data in CIF	3tws_validation.cif.gz	46.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/tw/3tws ftp://data.pdbj.org/pub/pdb/validation_reports/tw/3tws	HTTPS FTP

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Related structure data

Related structure data	3twqC 3twrC 3twtC 3twuC 3twvC 3twwC 3twxC C: citing same article (ref.)
Similar structure data	3twr-1 3twv-1 4w57-d 4w58-d 3twr-4 3twv-4 3twr-3 3dn8-d 6j4r-2 3twt-2 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) 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

Related structure data

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#250 - Oct 2020 Capsaicin Receptor TRPV1 similarity (1) #60 - Dec 2004 Ubiquitin similarity (1) #223 - Jul 2018 Piezo1 Mechanosensitive Channel similarity (1) #234 - Jun 2019 MDM2 and Cancer similarity (1)

Deposited unit

A: Tankyrase-2

B: Tankyrase-2

C: Tankyrase-2

D: Tankyrase-2

E: human TERF1

F: human TERF1

G: human TERF1

H: human TERF1

hetero molecules

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

1

A: Tankyrase-2

E: human TERF1

hetero molecules

defined by software
20.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Tankyrase-2

F: human TERF1

hetero molecules

defined by software
20.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Tankyrase-2

G: human TERF1

hetero molecules

defined by software
20.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: Tankyrase-2

H: human TERF1

hetero molecules

defined by software
20.2 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	61.910, 104.969, 129.155
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

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Protein / Protein/peptide , 2 types, 8 molecules ABCDEFGH

#1: Protein	Tankyrase-2 / TANK2 / Poly [ADP-ribose] polymerase 5B / TNKS-2 / TRF1-interacting ankyrin-related ADP-ribose ...TANK2 / Poly [ADP-ribose] polymerase 5B / TNKS-2 / TRF1-interacting ankyrin-related ADP-ribose polymerase 2 / Tankyrase II / Tankyrase-like protein / Tankyrase-related protein Mass: 17851.180 Da / Num. of mol.: 4 / Fragment: UNP residues 488-649 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: PARP5B, TANK2, TNKL, TNKS2 / Plasmid: pETM-30 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21-CodonPlus(DE3)-RIL / References: UniProt: Q9H2K2, NAD+ ADP-ribosyltransferase
#2: Protein/peptide	human TERF1 Mass: 1773.994 Da / Num. of mol.: 4 / Source method: obtained synthetically / Details: solid-state synthesized peptide / Source: (synth.) Homo sapiens (human)

#1: Protein

Tankyrase-2 / TANK2 / Poly [ADP-ribose] polymerase 5B / TNKS-2 / TRF1-interacting ankyrin-related ADP-ribose ...

Mass: 17851.180 Da / Num. of mol.: 4 / Fragment: UNP residues 488-649
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Homo sapiens (human) / Gene: PARP5B, TANK2, TNKL, TNKS2 / Plasmid: pETM-30 / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21-CodonPlus(DE3)-RIL / References: UniProt: Q9H2K2, NAD+ ADP-ribosyltransferase

#2: Protein/peptide

human TERF1

Mass: 1773.994 Da / Num. of mol.: 4 / Source method: obtained synthetically / Details: solid-state synthesized peptide / Source: (synth.)

Homo sapiens (human)

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Non-polymers , 5 types, 519 molecules

#3: Chemical	ChemComp-PE8 / 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL Mass: 370.436 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₆H₃₄O₉
#4: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 20 / Source method: obtained synthetically / Formula: C₂H₆O₂
#5: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: SO₄
#6: Chemical	ChemComp-P6G / HEXAETHYLENE GLYCOL / POLYETHYLENE GLYCOL PEG400 Mass: 282.331 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₁₂H₂₆O₇ / Comment: precipitant*YM
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 489 / 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: 2.59 Å³/Da / Density % sol: 52.51 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 0.1 M MES-NaOH pH 6.0, 2% (v/v) PEG 400, 2.5 M (NH4)2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.9792 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jul 17, 2010
Radiation	Monochromator: Si (220), Si (311) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9792 Å / Relative weight: 1
Reflection	Resolution: 1.7→50 Å / Num. all: 93277 / Num. obs: 93277 / % possible obs: 99.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 2.8 / Redundancy: 5.4 % / R_merge(I) obs: 0.07 / Net I/σ(I): 22.2
Reflection shell	Resolution: 1.7→1.76 Å / Redundancy: 5.3 % / R_merge(I) obs: 0.532 / Mean I/σ(I) obs: 2.8 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	(phenix.refine: 1.7.1_743)	refinement
REFMAC		refinement
ADSC	Quantum	data collection
HKL-2000		data reduction
HKL-2000		data scaling
REFMAC		phasing

Refinement

Method to determine structure:

FOURIER SYNTHESIS / Resolution: 1.7→33.286 Å / SU ML: 0.47 / σ(F): 0.52 / Phase error: 18.88 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2109	4671	5.04 %	Random
R_work	0.1789	-	-	-
obs	0.1805	92767	99.53 %	-
all	-	92767	-	-

Solvent computation

Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 51.103 Å² / k_sol: 0.398 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.8167 Å²	0 Å²	0 Å²
2-	-	0.3166 Å²	-0 Å²
3-	-	-	0.5001 Å²

Refinement step

Cycle: LAST / Resolution: 1.7→33.286 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5164	0	166	489	5819

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	5517
X-RAY DIFFRACTION	f_angle_d	0.981	7420
X-RAY DIFFRACTION	f_dihedral_angle_d	13.988	2054
X-RAY DIFFRACTION	f_chiral_restr	0.068	812
X-RAY DIFFRACTION	f_plane_restr	0.005	974

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 (%)
1.7-1.7193	0.3545	143	0.3011	2943	X-RAY DIFFRACTION	100
1.7193-1.7395	0.3097	171	0.2842	2867	X-RAY DIFFRACTION	100
1.7395-1.7608	0.2742	151	0.2761	2891	X-RAY DIFFRACTION	100
1.7608-1.783	0.309	182	0.2607	2901	X-RAY DIFFRACTION	100
1.783-1.8065	0.3046	131	0.2436	2932	X-RAY DIFFRACTION	100
1.8065-1.8312	0.285	163	0.2268	2900	X-RAY DIFFRACTION	100
1.8312-1.8574	0.2496	155	0.2172	2894	X-RAY DIFFRACTION	100
1.8574-1.8851	0.2082	158	0.1958	2931	X-RAY DIFFRACTION	100
1.8851-1.9146	0.2129	165	0.1864	2872	X-RAY DIFFRACTION	100
1.9146-1.946	0.2022	163	0.1778	2917	X-RAY DIFFRACTION	100
1.946-1.9795	0.2141	161	0.1682	2913	X-RAY DIFFRACTION	100
1.9795-2.0155	0.1929	153	0.1647	2928	X-RAY DIFFRACTION	100
2.0155-2.0543	0.2326	156	0.1603	2935	X-RAY DIFFRACTION	100
2.0543-2.0962	0.2219	143	0.1655	2897	X-RAY DIFFRACTION	100
2.0962-2.1418	0.1995	150	0.1644	2962	X-RAY DIFFRACTION	100
2.1418-2.1916	0.211	165	0.1662	2898	X-RAY DIFFRACTION	100
2.1916-2.2464	0.2066	159	0.1712	2900	X-RAY DIFFRACTION	100
2.2464-2.3071	0.2056	151	0.1559	2959	X-RAY DIFFRACTION	100
2.3071-2.375	0.1711	153	0.1557	2931	X-RAY DIFFRACTION	100
2.375-2.4516	0.1917	161	0.1546	2911	X-RAY DIFFRACTION	100
2.4516-2.5392	0.1867	155	0.1575	2952	X-RAY DIFFRACTION	100
2.5392-2.6408	0.1835	150	0.161	2942	X-RAY DIFFRACTION	100
2.6408-2.761	0.2062	178	0.1712	2937	X-RAY DIFFRACTION	100
2.761-2.9064	0.2289	148	0.18	2966	X-RAY DIFFRACTION	100
2.9064-3.0884	0.1912	164	0.1759	2969	X-RAY DIFFRACTION	100
3.0884-3.3267	0.1945	144	0.1764	2981	X-RAY DIFFRACTION	100
3.3267-3.6611	0.1956	148	0.1657	2990	X-RAY DIFFRACTION	100
3.6611-4.19	0.1922	148	0.155	2994	X-RAY DIFFRACTION	99
4.19-5.2755	0.1971	146	0.1678	3000	X-RAY DIFFRACTION	98
5.2755-33.2924	0.2571	156	0.2341	3083	X-RAY DIFFRACTION	97

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	4.7131	-1.8571	1.0888	2.0533	-1.0931	6.4868	-0.1551	-0.0987	0.3783	-0.3415	-0.0601	1.0265	-0.8882	-1.0425	0.0631	0.2843	0.1028	-0.0773	0.3235	0.0084	0.3039	-27.7336	-11.7272	11.0643
2	3.5833	1.8015	-0.1922	5.113	-0.6298	5.9122	-0.0878	0.1803	0.2394	-0.7085	0.2384	0.3503	-0.3164	-0.13	-0.0922	0.2375	-0.0025	-0.0518	0.1704	0.0247	0.1886	-20.9083	-10.5203	8.6522
3	2.6134	1.9443	0.4058	4.8215	-0.4868	5.3367	-0.1498	0.0895	0.0612	-0.3353	0.1272	0.1649	-0.1745	-0.0681	-0.0008	0.0869	-0.0053	-0.0072	0.1414	0.0101	0.104	-19.7176	-17.8739	13.7942
4	1.1711	0.2108	0.6037	3.76	0.6214	2.1141	0.0121	-0.0612	-0.0044	0.1102	0.0494	-0.1079	0.0272	0.0301	-0.0621	0.0984	-0.0028	0.0202	0.1675	-0.0041	0.1084	-13.4347	-21.4476	21.9548
5	4.5572	1.4495	1.4082	5.9692	-0.206	3.3025	-0.0232	-0.0692	-0.2886	-0.0486	0.0474	-0.2515	0.7025	-0.0145	-0.0308	0.3206	0.029	-0.0133	0.1613	0.026	0.1276	-11.4412	-32.5861	24.6069
6	7.9307	-1.5806	-6.6767	3.4908	1.0819	8.0096	-0.1221	-1.0077	0.2608	0.7282	0.2968	-0.2232	0.0443	0.5256	-0.102	0.3692	0.0158	-0.0601	0.3218	0.0198	0.1741	-10.933	-27.5811	36.6424
7	3.1209	-0.5398	-0.1825	2.302	1.7684	1.3832	0.239	-0.3805	-0.867	0.3201	0.0024	0.1553	1.0527	-0.0471	-0.1772	0.8774	-0.0096	-0.0696	0.2125	0.1634	0.2504	-12.6226	-40.1466	32.2283
8	4.8358	1.2451	0.7464	4.9177	3.4374	5.5321	-0.2447	-0.0859	0.2962	0.4211	0.3278	-0.6124	-0.5446	0.4535	-0.0257	0.2272	-0.0316	-0.0678	0.1915	-0.0197	0.2295	-45.6843	-17.2358	48.3351
9	5.6507	-2.1114	-1.2578	2.3535	-1.3409	8.1294	-0.0291	0.1234	0.2008	0.1504	0.0635	0.0131	-0.4178	-0.2515	-0.137	0.1908	-0.0099	0.0033	0.1214	-0.0689	0.2247	-51.9828	-16.7832	43.6145
10	1.0269	-1.1359	-0.6074	3.3572	0.2509	3.0309	0.0535	0.0244	0.262	-0.1278	0.0924	-0.1167	-0.204	0.0771	-0.0684	0.086	-0.0309	-0.0043	0.1318	0.0032	0.1505	-46.3302	-24.8374	36.5584
11	0.9466	1.8412	-1.4425	6.6597	-1.7066	6.012	-0.1754	0.3263	0.015	-0.276	0.0808	0.4976	0.0646	-0.759	0.0215	0.1249	-0.043	-0.0389	0.2591	0.02	0.2067	-54.0008	-31.6285	30.8102
12	3.763	0.884	-1.6084	2.1291	-0.2892	1.5863	-0.0947	0.2487	0.1066	-0.2735	0.1946	-0.0821	0.0149	-0.0634	-0.0999	0.1715	-0.0461	0.0043	0.1694	0.0126	0.1234	-39.8925	-34.3985	24.6759
13	7.7773	6.4762	-3.5862	8.3136	-1.899	5.2502	-0.4515	-0.059	-1.2466	-0.2649	0.0331	-1.0993	0.5534	0.259	0.3277	0.2954	-0.005	0.1222	0.23	0.005	0.3584	-36.1427	-46.0366	25.2483
14	2.9084	-0.975	-2.0924	1.4982	0.2687	6.3422	0.1735	0.0459	0.4093	-0.4944	0.0173	-1.0503	-0.3196	0.699	-0.2282	0.4315	-0.038	0.2176	0.2507	0.0315	0.4413	6.3265	13.1585	8.6231
15	2.2456	0.5282	-0.7932	1.5724	0.2629	4.6499	0.2108	0.3384	0.2677	-0.5613	-0.1086	-0.275	-0.4617	0.0591	-0.1016	0.4593	0.0106	0.1671	0.2359	0.0318	0.2678	0.4139	10.2028	5.0434
16	1.5087	0.0514	-0.5804	3.1235	-0.1368	4.5524	0.0457	0.1102	0.0225	-0.3375	-0.0102	-0.2347	-0.044	0.1103	-0.0326	0.1746	0.0027	0.0708	0.1319	-0.0036	0.1837	-1.5253	4.7051	15.5485
17	6.159	-2.5898	-2.9556	4.4505	5.2654	6.2261	0.0068	-0.0119	-0.1023	-0.3723	-0.1293	0.9303	-0.238	-0.1902	0.122	0.191	0.0201	0.0065	0.1459	0.0301	0.253	-12.9782	4.1146	18.102
18	6.59	-0.4379	2.3191	2.9936	0.5338	3.2549	-0.0998	0.0985	-0.1873	-0.0918	0.0384	-0.2619	0.2801	0.2308	0.0468	0.1665	0.0253	0.0664	0.1362	0.0101	0.1934	-1.7198	-7.8727	22.6476
19	1.6806	1.5309	1.4268	3.088	0.7767	3.9005	-0.1611	-0.0956	0.0614	0.0851	-0.0146	0.0739	-0.0811	0.0201	0.1771	0.1537	0.0389	0.0372	0.1414	0.0001	0.1509	-10.2892	-0.8169	29.2533
20	4.8074	1.0946	1.4658	1.5413	-0.1711	2.6624	-0.0339	-0.0681	-0.5457	0.0174	-0.085	-0.3193	0.4686	0.2984	-0.0488	0.2087	0.0654	0.0362	0.2064	0.052	0.2357	-3.6678	-12.0108	30.6072
21	4.8884	-2.1953	-2.3803	3.4674	-0.0404	1.6649	-0.6939	-1.0434	-0.4093	0.8033	0.3687	-0.0654	0.5454	0.5112	0.1284	0.4581	0.2519	0.1749	0.3644	0.0577	0.19	-9.2747	-3.8458	39.4017
22	3.439	0.3801	3.4327	2.9447	0.7053	4.3233	-0.3739	0.1658	0.415	-1.1414	0.002	0.5303	-0.8218	-0.0048	0.1945	0.4499	-0.0135	-0.1743	0.1733	-0.0024	0.2415	-27.5121	-31.8073	-8.092
23	5.4561	3.8938	1.539	3.549	1.2785	5.2037	-0.3071	0.045	0.2921	-0.1092	0.1033	-0.0059	-0.3	0.0141	0.1987	0.2501	0.0105	-0.1293	0.1478	-0.0079	0.2293	-30.9442	-41.8977	-9.0553
24	4.6925	0.0336	2.3082	4.5933	1.9739	6.1653	-0.0085	0.4246	-0.2158	-0.4381	0.0953	0.1146	-0.0463	0.3033	-0.0792	0.1798	-0.0169	-0.0609	0.1977	0.0017	0.1453	-20.0227	-39.8242	-4.1364
25	8.3698	1.6262	5.9308	3.5079	0.3894	4.3838	-0.0304	-0.4545	0.4404	-0.2227	-0.3054	1.121	0.0166	-0.802	0.2406	0.1627	0.0197	-0.0908	0.2424	-0.0611	0.3051	-31.4979	-36.189	2.8325
26	3.6654	-0.3578	1.4751	4.7347	0.2885	2.4034	0.2149	0.221	-0.1917	-0.2851	-0.1125	0.0084	0.156	0.1475	-0.1077	0.175	0.0191	-0.0423	0.1623	0.0049	0.1223	-20.3037	-46.1631	1.3212
27	4.0608	1.1354	3.1061	7.6093	1.8321	2.9897	-0.0367	-0.5368	-0.0267	0.2468	-0.0708	0.5875	-0.0024	-0.2483	0.0205	0.1696	-0.0038	-0.013	0.2305	0.0249	0.2044	-25.6923	-41.2658	11.1724
28	5.0543	-1.1231	0.1696	4.8851	0.3918	3.4461	0.3535	0.2035	-0.5176	-0.0964	-0.0831	0.0092	0.2908	0.2569	-0.2351	0.2233	0.0136	-0.1059	0.18	0.0049	0.2381	-18.6968	-53.4792	4.0935
29	3.6786	-1.6681	0.3738	5.8962	0.1206	2.6797	-0.0952	-0.2204	0.0228	0.4606	0.2172	-0.33	-0.0178	0.2111	-0.1456	0.2083	0.0267	-0.0761	0.1686	0.0094	0.2037	-14.131	-46.3885	13.745
30	4.4358	-2.3899	-0.8281	6.3117	0.6763	4.0213	0.1088	0.2692	-0.443	0.1542	0.0656	-0.2612	0.5584	0.0975	-0.1713	0.2946	0.05	-0.1398	0.2213	-0.01	0.3106	-12.762	-57.8158	9.9845
31	0.4365	-0.6785	0.9031	3.2558	2.1585	7.7239	0.0175	-0.0199	0.1643	0.6516	0.5038	-1.0715	-0.0793	0.9154	0.5774	0.344	0.1423	-0.4089	0.3079	-0.074	0.418	-5.5274	-49.9895	17.2382
32	2.2386	-0.4431	-0.5709	3.7553	-1.6016	2.4326	-0.0438	-0.6643	-0.0971	0.3937	-0.0233	0.4878	-0.1755	-0.1197	0.1022	0.099	-0.034	0.0514	0.2964	0.0177	0.222	-25.767	-25.6433	23.5487
33	7.4633	-2.1193	-1.6369	4.2132	0.2232	2.5728	0.0581	0.0461	-0.1286	-0.0614	0.0815	-0.4889	0.344	0.371	-0.0423	0.1769	-0.0085	-0.0472	0.2095	-0.0403	0.1716	-39.0698	-33.3985	40.6576
34	4.4579	-4.6764	-2.2035	4.9382	2.3758	5.0506	-0.3459	-0.4091	0.0632	0.3159	0.3924	-0.4405	0.0326	0.2356	-0.0992	0.1462	0.011	0.0061	0.2095	-0.0445	0.3066	1.5459	9.211	25.4896
35	1.1741	0.4175	0.1693	3.2014	4.9885	7.9673	0.0499	0.1236	-0.1489	0.1645	0.3317	-0.2779	0.1895	0.6312	-0.501	0.2111	-0.0086	-0.0419	0.3356	-0.0276	0.2206	-12.1635	-37.7391	1.8672

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resseq 490:502)
2	X-RAY DIFFRACTION	2	chain 'A' and (resseq 503:521)
3	X-RAY DIFFRACTION	3	chain 'A' and (resseq 522:547)
4	X-RAY DIFFRACTION	4	chain 'A' and (resseq 548:594)
5	X-RAY DIFFRACTION	5	chain 'A' and (resseq 595:614)
6	X-RAY DIFFRACTION	6	chain 'A' and (resseq 615:628)
7	X-RAY DIFFRACTION	7	chain 'A' and (resseq 629:646)
8	X-RAY DIFFRACTION	8	chain 'B' and (resseq 488:502)
9	X-RAY DIFFRACTION	9	chain 'B' and (resseq 503:521)
10	X-RAY DIFFRACTION	10	chain 'B' and (resseq 522:571)
11	X-RAY DIFFRACTION	11	chain 'B' and (resseq 572:581)
12	X-RAY DIFFRACTION	12	chain 'B' and (resseq 582:627)
13	X-RAY DIFFRACTION	13	chain 'B' and (resseq 628:644)
14	X-RAY DIFFRACTION	14	chain 'C' and (resseq 490:502)
15	X-RAY DIFFRACTION	15	chain 'C' and (resseq 503:521)
16	X-RAY DIFFRACTION	16	chain 'C' and (resseq 522:571)
17	X-RAY DIFFRACTION	17	chain 'C' and (resseq 572:581)
18	X-RAY DIFFRACTION	18	chain 'C' and (resseq 582:594)
19	X-RAY DIFFRACTION	19	chain 'C' and (resseq 595:614)
20	X-RAY DIFFRACTION	20	chain 'C' and (resseq 615:628)
21	X-RAY DIFFRACTION	21	chain 'C' and (resseq 629:645)
22	X-RAY DIFFRACTION	22	chain 'D' and (resseq 490:511)
23	X-RAY DIFFRACTION	23	chain 'D' and (resseq 512:521)
24	X-RAY DIFFRACTION	24	chain 'D' and (resseq 522:538)
25	X-RAY DIFFRACTION	25	chain 'D' and (resseq 539:548)
26	X-RAY DIFFRACTION	26	chain 'D' and (resseq 549:571)
27	X-RAY DIFFRACTION	27	chain 'D' and (resseq 572:580)
28	X-RAY DIFFRACTION	28	chain 'D' and (resseq 581:594)
29	X-RAY DIFFRACTION	29	chain 'D' and (resseq 595:613)
30	X-RAY DIFFRACTION	30	chain 'D' and (resseq 614:627)
31	X-RAY DIFFRACTION	31	chain 'D' and (resseq 628:644)
32	X-RAY DIFFRACTION	32	chain 'E'
33	X-RAY DIFFRACTION	33	chain 'F'
34	X-RAY DIFFRACTION	34	chain 'G'
35	X-RAY DIFFRACTION	35	chain 'H'

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