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

ID or keywords:

Entry

Database: PDB / ID: 3twr

Title

Crystal structure of ARC4 from human Tankyrase 2 in complex with peptide from human 3BP2

Components

SH3 domain-binding protein 2
Tankyrase-2

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 /

MOLECULAR REPLACEMENT / Resolution: 1.55 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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3twr.cif.gz	290.8 KB	Display	PDBx/mmCIF format
PDB format	pdb3twr.ent.gz	250.8 KB	Display	PDB format
PDBx/mmJSON format	3twr.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	3twr_validation.pdf.gz	1021.2 KB	Display	wwPDB validaton report
Full document	3twr_full_validation.pdf.gz	1 MB	Display
Data in XML	3twr_validation.xml.gz	35.2 KB	Display
Data in CIF	3twr_validation.cif.gz	51.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/tw/3twr ftp://data.pdbj.org/pub/pdb/validation_reports/tw/3twr	HTTPS FTP

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Related structure data

Related structure data	3twqC 3twsC 3twtC 3twuC 3twvC 3twwC 3twxC C: citing same article (ref.)
Similar structure data	3tws-1 3tws-2 3twt-2 3twv-1 3twv-2 3twx-3 3tws-4 2bxw-2 3twv-4 3twx-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) #148 - Apr 2012 Ras Protein 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: SH3 domain-binding protein 2

F: SH3 domain-binding protein 2

G: SH3 domain-binding protein 2

H: SH3 domain-binding protein 2

hetero molecules

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

1

A: Tankyrase-2

E: SH3 domain-binding protein 2

hetero molecules

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

2

B: Tankyrase-2

F: SH3 domain-binding protein 2

hetero molecules

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

3

C: Tankyrase-2

G: SH3 domain-binding protein 2

hetero molecules

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

4

D: Tankyrase-2

H: SH3 domain-binding protein 2

hetero molecules

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

Unit cell

Length a, b, c (Å)	61.679, 105.157, 128.703
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#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 484-649 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	SH3 domain-binding protein 2 / 3BP-2 Mass: 1824.029 Da / Num. of mol.: 4 / Source method: obtained synthetically / Details: solid-state synthesized peptide / Source: (synth.) Homo sapiens (human) / References: UniProt: P78314
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: SO₄
#4: Chemical	ChemComp-PE8 / 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL Mass: 370.436 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₁₆H₃₄O₉
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 688 / 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: 2.52 Å³/Da / Density % sol: 51.26 %
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-C / Wavelength: 0.9791 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Dec 11, 2009
Radiation	Monochromator: Si (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9791 Å / Relative weight: 1
Reflection	Resolution: 1.55→50 Å / Num. all: 121902 / Num. obs: 121902 / % possible obs: 99.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 2 / Redundancy: 7 % / R_merge(I) obs: 0.059 / Net I/σ(I): 30.3
Reflection shell	Resolution: 1.55→1.61 Å / Redundancy: 5.3 % / R_merge(I) obs: 0.723 / Mean I/σ(I) obs: 2 / % possible all: 98.6

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Processing

Software

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

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.55→33.24 Å / SU ML: 0.46 / σ(F): 0.29 / Phase error: 19.64 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.206	6057	5 %	Random
R_work	0.1808	-	-	-
obs	0.182	121138	99.39 %	-
all	-	121138	-	-

Solvent computation

Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 46.966 Å² / k_sol: 0.379 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.7252 Å²	-0 Å²	0 Å²
2-	-	-0.8245 Å²	-0 Å²
3-	-	-	1.5497 Å²

Refinement step

Cycle: LAST / Resolution: 1.55→33.24 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5220	0	83	688	5991

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	5576
X-RAY DIFFRACTION	f_angle_d	0.975	7575
X-RAY DIFFRACTION	f_dihedral_angle_d	14.215	2082
X-RAY DIFFRACTION	f_chiral_restr	0.067	834
X-RAY DIFFRACTION	f_plane_restr	0.005	1005

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 (%)
1.55-1.5676	0.3724	191	0.3424	3731	X-RAY DIFFRACTION	97
1.5676-1.5861	0.3539	201	0.3383	3779	X-RAY DIFFRACTION	99
1.5861-1.6054	0.3675	204	0.3305	3787	X-RAY DIFFRACTION	100
1.6054-1.6257	0.3497	186	0.3082	3854	X-RAY DIFFRACTION	100
1.6257-1.6471	0.2975	195	0.2763	3790	X-RAY DIFFRACTION	100
1.6471-1.6697	0.3002	173	0.2642	3862	X-RAY DIFFRACTION	100
1.6697-1.6935	0.2879	230	0.2563	3745	X-RAY DIFFRACTION	100
1.6935-1.7188	0.2643	188	0.2372	3825	X-RAY DIFFRACTION	100
1.7188-1.7457	0.2606	200	0.2275	3789	X-RAY DIFFRACTION	100
1.7457-1.7743	0.2519	206	0.2182	3811	X-RAY DIFFRACTION	100
1.7743-1.8049	0.2363	201	0.1997	3824	X-RAY DIFFRACTION	100
1.8049-1.8377	0.2263	210	0.1853	3804	X-RAY DIFFRACTION	100
1.8377-1.873	0.2021	206	0.1787	3823	X-RAY DIFFRACTION	100
1.873-1.9113	0.2026	218	0.1711	3810	X-RAY DIFFRACTION	100
1.9113-1.9528	0.1981	220	0.1693	3808	X-RAY DIFFRACTION	100
1.9528-1.9982	0.1993	198	0.1608	3839	X-RAY DIFFRACTION	100
1.9982-2.0482	0.1961	204	0.1606	3841	X-RAY DIFFRACTION	100
2.0482-2.1036	0.2017	198	0.1644	3827	X-RAY DIFFRACTION	100
2.1036-2.1655	0.1936	187	0.1716	3816	X-RAY DIFFRACTION	100
2.1655-2.2353	0.2038	219	0.1681	3840	X-RAY DIFFRACTION	100
2.2353-2.3152	0.1997	207	0.162	3841	X-RAY DIFFRACTION	100
2.3152-2.4079	0.1828	198	0.1608	3846	X-RAY DIFFRACTION	100
2.4079-2.5174	0.1862	219	0.1595	3852	X-RAY DIFFRACTION	100
2.5174-2.6501	0.1925	199	0.1675	3892	X-RAY DIFFRACTION	100
2.6501-2.8161	0.2221	218	0.1837	3877	X-RAY DIFFRACTION	100
2.8161-3.0334	0.1976	201	0.1793	3879	X-RAY DIFFRACTION	100
3.0334-3.3384	0.1759	193	0.1759	3911	X-RAY DIFFRACTION	100
3.3384-3.8208	0.1746	195	0.1548	3905	X-RAY DIFFRACTION	99
3.8208-4.8115	0.1661	196	0.1469	3865	X-RAY DIFFRACTION	97
4.8115-33.2476	0.2481	196	0.2153	4008	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	5.5718	-3.8175	1.8064	7.5399	-1.5483	6.9176	-0.3948	-0.2632	0.5144	0.0051	0.3663	0.8741	-0.631	-0.7402	-0.0009	0.2133	0.0269	-0.0904	0.2911	0.0588	0.362	-27.4959	-11.8658	10.9364
2	4.6063	1.5582	1.0592	3.6771	-0.1957	7.7346	-0.2789	0.3817	0.4748	-0.5633	0.3385	0.3802	-0.2673	-0.1596	-0.0028	0.2198	-0.0289	-0.0661	0.18	0.0556	0.2172	-20.7023	-10.7821	8.5119
3	1.6131	1.6508	1.0762	3.6747	-0.3657	3.1152	-0.0215	-0.0371	0.0818	-0.1149	0.0566	0.0778	-0.067	-0.0414	-0.0441	0.0943	0.0098	0.0135	0.1481	-0.0054	0.1413	-17.7895	-18.5375	17.2968
4	2.8443	2.615	0.8533	2.4081	0.6829	1.9738	0.0421	0.2773	-0.325	-0.3751	0.282	-0.7491	0.0681	0.4057	-0.1653	0.1229	0.026	0.0162	0.1779	-0.0351	0.2041	-9.2299	-26.4811	14.5795
5	6.8086	-0.3621	-4.1038	3.2245	0.6132	2.524	-0.0084	-0.347	0.0689	0.4462	0.1589	-0.2457	0.3631	0.1952	-0.2079	0.2171	-0.018	-0.0429	0.1978	-0.0267	0.1737	-11.9434	-20.8372	28.9051
6	3.4627	0.7825	-0.3251	2.1796	0.5171	5.1727	0.2424	-0.3091	-0.0532	0.712	0.0027	-0.4242	0.2881	0.1694	-0.2203	0.3636	0.0092	-0.0979	0.1583	0.0047	0.1994	-11.064	-30.643	29.446
7	2.6965	-0.3956	-0.5947	2.6	1.9015	1.4364	0.0825	-0.4645	-0.6842	0.9851	0.2075	-0.0498	0.9066	0.0394	-0.072	0.7914	-0.0223	-0.1819	0.1804	0.1317	0.2533	-12.3331	-40.1482	32.1869
8	2.1844	-0.2987	0.0401	5.0569	2.7936	7.1908	-0.1987	-0.1098	0.3592	0.54	0.252	-0.745	-0.4669	0.407	-0.0462	0.1799	-0.0175	-0.0809	0.203	-0.0016	0.2544	-45.731	-16.9811	48.2439
9	9.4572	-3.2974	1.5729	3.6974	-4.2782	5.7937	0.0422	0.0617	-0.4405	0.3471	-0.1615	1.0776	0.2085	-0.3705	0.1223	0.1677	-0.0193	0.0308	0.1903	-0.034	0.2326	-56.1011	-20.7191	47.7379
10	8.5279	-5.2244	1.8931	8.5876	-0.5805	2.1264	0.051	0.0059	0.6383	-0.1664	-0.0049	-0.6295	-0.2345	0.1734	-0.0693	0.2096	-0.0247	0.0015	0.1702	-0.0122	0.2509	-48.1727	-13.7527	39.6696
11	1.8205	-1.7982	-1.4168	4.1924	-1.6111	5.3113	0.0901	-0.1382	0.3329	0.0175	-0.0804	-0.2955	-0.178	0.2649	-0.0317	0.1147	-0.0163	-0.0202	0.1527	-0.0069	0.186	-42.8656	-23.9841	40.8327
12	5.5945	-3.4557	-2.1518	3.7367	-1.7887	6.8891	-0.0155	0.1568	-0.1752	-0.1539	-0.051	0.6215	-0.0266	-0.4457	0.0205	0.1571	-0.0269	-0.0448	0.2074	0.0107	0.2625	-56.5568	-23.4813	37.9854
13	1.316	-0.7959	-0.7643	3.8426	0.1313	3.1662	0.0339	0.0875	0.0429	-0.141	0.0952	0.1034	-0.0277	-0.1596	-0.1274	0.1318	-0.0333	-0.0208	0.1536	0.022	0.1263	-46.3891	-28.3025	32.0518
14	2.6316	0.4105	-0.9897	1.206	-0.1188	1.5923	-0.1024	0.2027	-0.0702	-0.191	0.1365	-0.0661	0.1066	-0.1103	-0.0349	0.1778	-0.0536	-0.026	0.1618	0.016	0.1269	-39.9353	-34.2902	24.7592
15	8.0195	4.2658	-3.9178	8.3574	-0.1077	2.5566	-0.5554	-0.0564	-1.345	-0.2492	0.022	-0.9146	0.775	-0.0548	0.4114	0.3192	-0.0446	0.0976	0.1946	-0.009	0.3781	-35.8791	-46.471	25.3693
16	4.9252	0.1346	-1.8024	0.0144	-0.1765	4.5944	-0.1018	-0.1583	0.0117	-0.4192	-0.2536	-1.1977	-0.1963	0.8628	0.1375	0.331	-0.0138	0.182	0.2329	0.0788	0.4647	7.5093	12.4919	8.5638
17	2.543	-0.4883	0.2233	2.2292	3.0966	6.3702	0.1941	0.2733	0.1519	-0.6818	-0.2551	-0.2301	-0.2985	-0.0052	0.1025	0.3544	-0.0303	0.118	0.171	0.0359	0.2405	0.5387	10.4436	5.2014
18	1.4705	-0.0807	-0.2827	4.548	-0.4795	3.0253	0.0023	-0.0256	0.0286	-0.3242	-0.0005	-0.1873	0.0002	0.0737	0.0071	0.1782	-0.0028	0.0422	0.151	0.0046	0.1689	-1.5574	8.0097	13.3195
19	1.0671	-0.026	-0.0827	4.2709	-0.8595	2.5974	-0.0238	-0.0192	-0.0493	0.0039	-0.0686	-0.2208	0.1248	0.0794	0.0515	0.1563	0.0022	0.0301	0.1577	-0.0079	0.1895	-1.3359	0.2749	18.5611
20	1.6028	0.0401	-0.5738	7.0204	1.2067	3.1613	0.0356	-0.0475	0.0628	-0.3489	-0.1078	0.8314	-0.192	-0.2345	-0.1195	0.1649	0.008	-0.0132	0.1542	0.0073	0.2472	-12.9998	4.0359	17.7895
21	1.9734	-0.2086	0.6459	4.2531	-1.0323	2.4646	-0.0508	-0.0844	-0.18	0.0387	0.0422	-0.2035	0.0721	0.1826	0.0768	0.1629	0.0262	0.0256	0.1659	-0.0133	0.1869	-1.8099	-7.93	22.4324
22	0.5615	1.0369	1.5923	5.4205	2.0371	5.1431	-0.1576	-0.2441	0.1568	0.1888	0.0262	0.2187	-0.2879	-0.2249	0.0816	0.1568	0.0506	0.041	0.1394	0.0131	0.1462	-10.2189	-0.8349	29.0718
23	1.8652	-1.8126	1.8938	3.451	-1.1752	2.1983	0.1222	-0.0978	-0.3531	0.004	-0.0081	-0.1642	0.3427	0.2866	-0.0624	0.1662	0.0407	0.0073	0.1963	0.0003	0.1763	-3.5528	-12.3682	30.4145
24	4.8804	-3.1641	-2.8836	2.3384	1.0584	4.0633	-0.6114	-0.851	-0.2518	0.9671	0.5861	0.2629	-0.0704	0.248	-0.0389	0.4233	0.1483	0.1046	0.2906	0.032	0.2317	-9.1653	-4.0054	38.9254
25	6.6236	0.9898	2.1297	7.2297	1.9376	7.9835	-0.0528	0.816	-0.1837	-1.1349	-0.0576	-0.4085	-0.228	0.6988	0.0475	0.3489	0.0072	0.0113	0.2433	0.0115	0.2354	-24.3444	-34.7352	-12.3451
26	8.8008	1.4974	3.1624	8.5296	1.0126	6.4488	-0.4739	-0.3621	0.6374	-0.1176	-0.2487	0.8125	-0.8445	-0.4326	0.4685	0.3225	0.0434	-0.0897	0.204	-0.04	0.2682	-31.2081	-29.5022	-4.4246
27	7.5558	1.5735	-3.777	2.6572	0.5949	8.1694	-0.2331	-0.0719	0.0478	0.0249	0.1784	-0.1551	0.0935	0.1438	0.0374	0.2374	0.0096	-0.0979	0.1181	-0.0197	0.2023	-30.716	-41.9629	-8.9927
28	3.1289	0.2949	1.7995	5.9772	3.6008	9.1702	-0.0883	0.2878	-0.0957	-0.3964	0.1713	-0.0128	-0.074	0.5643	-0.1477	0.1717	-0.0203	-0.0359	0.2216	0.0091	0.1662	-19.6789	-39.8945	-4.193
29	6.9923	5.6921	6.2541	6.0679	4.5366	7.2903	0.1709	-0.2683	-0.0045	0.087	-0.1528	0.5695	0.0599	-0.5113	0.0185	0.1901	0.0131	-0.0523	0.2255	-0.0028	0.2432	-31.213	-36.3934	2.9359
30	2.6387	-0.6489	0.8001	4.0686	0.3962	2.6714	0.2403	0.1381	-0.2301	-0.2367	-0.0457	0.0375	0.2736	0.156	-0.19	0.1786	0.0186	-0.0456	0.1576	-0.0052	0.1512	-19.8266	-46.1531	1.2273
31	2.3991	0.3716	1.308	5.9346	1.1884	3.2379	0.0822	-0.3794	-0.1362	0.2997	-0.0092	0.5098	0.1179	-0.2431	-0.1059	0.1821	-0.0029	-0.0133	0.2237	0.0225	0.2086	-25.0273	-41.5405	11.3882
32	9.4923	-2.7163	-5.291	4.2347	1.5941	5.7111	0.1273	0.0039	-0.3493	0.008	-0.0338	0.0541	0.4372	0.1951	-0.0521	0.2202	0.0086	-0.0945	0.1369	-0.0081	0.2111	-19.3944	-52.7887	4.5317
33	2.3279	-1.1635	-0.3658	4.3865	0.945	2.6294	0.0455	0.0596	-0.1111	0.1754	0.1027	-0.3168	0.2133	0.2099	-0.1814	0.1887	0.0228	-0.099	0.1819	0.0006	0.23	-12.9203	-51.2806	12.0179
34	1.4676	-2.4654	-1.0115	4.2982	2.6114	6.3393	0.1279	-0.3556	0.2333	0.9225	0.7624	-1.6288	0.3038	1.1295	0.7834	0.2515	0.1105	-0.4284	0.3363	-0.1425	0.6372	-5.1314	-49.9451	17.8569
35	4.7709	-0.8869	-1.4092	4.4176	0.997	8.6944	-0.0274	-0.3072	0.0969	0.2906	0.0125	0.2761	-0.0169	-0.093	0.0961	0.106	-0.0295	0.0094	0.143	0.0137	0.1787	-25.4201	-26.2298	22.3015
36	7.139	2.6026	-5.7998	5.9988	-2.7992	6.5279	-0.0459	-0.52	-0.2415	-0.0191	-0.0918	-0.383	0.2717	0.7888	0.1009	0.1426	-0.0178	-0.0666	0.2482	0.0108	0.15	-37.3888	-32.5986	40.1609
37	8.764	-6.2212	0.6103	4.4312	-0.5074	2.3736	-0.2101	-0.3438	0.3835	0.379	0.2022	-0.313	0.0294	-0.0971	0.0996	0.1677	-0.0064	-0.0303	0.208	-0.0575	0.2449	1.443	8.9941	25.6998
38	6.086	-3.6187	-1.1916	8.4879	3.1456	8.161	0.1077	0.1666	-0.067	-0.2234	-0.0407	-0.353	-0.0895	0.4445	-0.1475	0.1494	-0.0385	0.0026	0.3032	-0.0121	0.1825	-11.0778	-39.1398	0.9579

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 522:571)
4	X-RAY DIFFRACTION	4	chain 'A' and (resseq 572:580)
5	X-RAY DIFFRACTION	5	chain 'A' and (resseq 581:594)
6	X-RAY DIFFRACTION	6	chain 'A' and (resseq 595:628)
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 503:511)
10	X-RAY DIFFRACTION	10	chain 'B' and (resseq 512:521)
11	X-RAY DIFFRACTION	11	chain 'B' and (resseq 522:538)
12	X-RAY DIFFRACTION	12	chain 'B' and (resseq 539:548)
13	X-RAY DIFFRACTION	13	chain 'B' and (resseq 549:580)
14	X-RAY DIFFRACTION	14	chain 'B' and (resseq 581:627)
15	X-RAY DIFFRACTION	15	chain 'B' and (resseq 628:644)
16	X-RAY DIFFRACTION	16	chain 'C' and (resseq 488:502)
17	X-RAY DIFFRACTION	17	chain 'C' and (resseq 503:521)
18	X-RAY DIFFRACTION	18	chain 'C' and (resseq 522:548)
19	X-RAY DIFFRACTION	19	chain 'C' and (resseq 549:571)
20	X-RAY DIFFRACTION	20	chain 'C' and (resseq 572:581)
21	X-RAY DIFFRACTION	21	chain 'C' and (resseq 582:594)
22	X-RAY DIFFRACTION	22	chain 'C' and (resseq 595:614)
23	X-RAY DIFFRACTION	23	chain 'C' and (resseq 615:627)
24	X-RAY DIFFRACTION	24	chain 'C' and (resseq 628:645)
25	X-RAY DIFFRACTION	25	chain 'D' and (resseq 487:502)
26	X-RAY DIFFRACTION	26	chain 'D' and (resseq 503:511)
27	X-RAY DIFFRACTION	27	chain 'D' and (resseq 512:521)
28	X-RAY DIFFRACTION	28	chain 'D' and (resseq 522:538)
29	X-RAY DIFFRACTION	29	chain 'D' and (resseq 539:548)
30	X-RAY DIFFRACTION	30	chain 'D' and (resseq 549:571)
31	X-RAY DIFFRACTION	31	chain 'D' and (resseq 572:580)
32	X-RAY DIFFRACTION	32	chain 'D' and (resseq 581:594)
33	X-RAY DIFFRACTION	33	chain 'D' and (resseq 595:628)
34	X-RAY DIFFRACTION	34	chain 'D' and (resseq 629:644)
35	X-RAY DIFFRACTION	35	chain 'E'
36	X-RAY DIFFRACTION	36	chain 'F'
37	X-RAY DIFFRACTION	37	chain 'G'
38	X-RAY DIFFRACTION	38	chain 'H'

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