PDB-4yzg: Structure of the Arabidopsis TAP38/PPH1, a state-transition phosp...

ID or keywords:

Entry

Database: PDB / ID: 4yzg

Title

Structure of the Arabidopsis TAP38/PPH1, a state-transition phosphatase responsible for dephosphorylation of LHCII

Components

Protein phosphatase 2C 57

Keywords

HYDROLASE / State transition / photosynthesis / PP2C phosphatase

Function / homology

Function and homology information

photosystem stoichiometry adjustment / thylakoid / photosynthetic electron transport chain / chloroplast stroma / dephosphorylation / histone H2AXS140 phosphatase activity / RNA polymerase II CTD heptapeptide repeat Y1 phosphatase activity / RNA polymerase II CTD heptapeptide repeat T4 phosphatase activity / RNA polymerase II CTD heptapeptide repeat S2 phosphatase activity / RNA polymerase II CTD heptapeptide repeat S5 phosphatase activity ...
Similarity search - Function

Biological species

Arabidopsis thaliana (thale cress)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.6 Å

Authors

Wei, X.P. / Guo, J.T. / Li, M. / Liu, Z.F.

Funding support

China, 2items

Organization	Grant number	Country
National 973 project of the Chinese Ministriy of Science and Technology	2011CBA00903	China
Strategic Priority Research Program of Chinese Academy of Sciences	XDB08020302	China

Citation

Journal: Plant Cell / Year: 2015
Title: Structural Mechanism Underlying the Specific Recognition between the Arabidopsis State-Transition Phosphatase TAP38/PPH1 and Phosphorylated Light-Harvesting Complex Protein Lhcb1
Authors: Wei, X. / Guo, J. / Li, M. / Liu, Z.

History

Deposition	Mar 25, 2015	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Apr 29, 2015	Provider: repository / Type: Initial release
Revision 1.1	May 20, 2015	Group: Database references
Revision 1.2	Feb 19, 2020	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Source and taxonomy Category: citation / diffrn_source ...citation / diffrn_source / entity_src_gen / pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_struct_oper_list Item: _citation.journal_id_CSD / _diffrn_source.pdbx_synchrotron_site ..._citation.journal_id_CSD / _diffrn_source.pdbx_synchrotron_site / _entity_src_gen.pdbx_alt_source_flag / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_assembly_prop.type / _pdbx_struct_assembly_prop.value / _pdbx_struct_oper_list.symmetry_operation
Revision 1.3	Nov 8, 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 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.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4yzg.cif.gz	262.6 KB	Display	PDBx/mmCIF format
PDB format	pdb4yzg.ent.gz	213.6 KB	Display	PDB format
PDBx/mmJSON format	4yzg.json.gz		Tree view	PDBx/mmJSON format
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Validation report

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

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Related structure data

Related structure data	4yzhC 3fxjS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	3dxq-d 1ckj-d 1bp6-1 4tn6-d 5a9v-3 3p14-1 6kyq-d 5a9x-d 4l9m-d 5an3-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

Deposited unit

A: Protein phosphatase 2C 57

B: Protein phosphatase 2C 57

hetero molecules

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

1

Idetical with deposited unit
defined by author&software

2

A: Protein phosphatase 2C 57

hetero molecules

defined by author&software
33.9 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

B: Protein phosphatase 2C 57

hetero molecules

defined by author&software
33.9 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	55.399, 73.879, 81.998
Angle α, β, γ (deg.)	90.00, 109.15, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Protein phosphatase 2C 57 / AtPP2C57 / Protein phosphatase 2C PPH1 / PP2C PPH1 Mass: 33709.859 Da / Num. of mol.: 2 / Fragment: UNP residues 59-351 / Mutation: Ndel58, Cdel37 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Arabidopsis thaliana (thale cress) / Gene: PPH1, At4g27800, T27E11.40 / Plasmid: pET24a / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21 (DE3) References: UniProt: P49599, protein-serine/threonine phosphatase
#2: Chemical	ChemComp-MN / MANGANESE (II) ION Mass: 54.938 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mn
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO₄
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 574 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 2.35 Å³/Da / Density % sol: 47.69 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 6.5 / Details: 30% PEG 3350, 0.4 M Li2SO4, 0.1 M Bis-Tris buffer

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: Photon Factory / Beamline: AR-NW12A / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 210 / Detector: CCD / Date: Nov 28, 2013
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.6→50 Å / Num. all: 80959 / Num. obs: 80959 / % possible obs: 98.4 % / Redundancy: 3.8 % / R_merge(I) obs: 0.053 / Net I/σ(I): 22
Reflection shell	Resolution: 1.6→1.66 Å / Redundancy: 3.7 % / R_merge(I) obs: 0.493 / Mean I/σ(I) obs: 2.6 / % possible all: 97.2

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Processing

Software

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

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3FXJ

3fxj

Resolution: 1.6→26.731 Å / SU ML: 0.23 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 19.36 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2033	4062	5.02 %	Random selection
R_work	0.1797	-	-	-
obs	0.1809	80948	98.31 %	-

Solvent computation

Shrinkage radii: 0.73 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 49.818 Å² / k_sol: 0.406 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.2205 Å²	0 Å²	0.4862 Å²
2-	-	1.3723 Å²	0 Å²
3-	-	-	-1.5927 Å²

Refinement step

Cycle: LAST / Resolution: 1.6→26.731 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4582	0	14	574	5170

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.017	4671
X-RAY DIFFRACTION	f_angle_d	1.69	6296
X-RAY DIFFRACTION	f_dihedral_angle_d	14.026	1716
X-RAY DIFFRACTION	f_chiral_restr	0.106	693
X-RAY DIFFRACTION	f_plane_restr	0.007	820

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 (%)
1.6001-1.6189	0.3428	127	0.2978	2541	X-RAY DIFFRACTION	94
1.6189-1.6387	0.3338	126	0.3033	2616	X-RAY DIFFRACTION	97
1.6387-1.6594	0.3106	138	0.284	2629	X-RAY DIFFRACTION	98
1.6594-1.6813	0.3128	153	0.2612	2632	X-RAY DIFFRACTION	97
1.6813-1.7043	0.2681	134	0.2465	2602	X-RAY DIFFRACTION	98
1.7043-1.7286	0.2635	154	0.2318	2625	X-RAY DIFFRACTION	98
1.7286-1.7544	0.253	134	0.2228	2621	X-RAY DIFFRACTION	98
1.7544-1.7818	0.2327	140	0.2072	2655	X-RAY DIFFRACTION	98
1.7818-1.811	0.1963	155	0.2005	2598	X-RAY DIFFRACTION	98
1.811-1.8423	0.2677	156	0.1986	2651	X-RAY DIFFRACTION	98
1.8423-1.8758	0.2689	140	0.2033	2655	X-RAY DIFFRACTION	99
1.8758-1.9118	0.224	129	0.19	2632	X-RAY DIFFRACTION	98
1.9118-1.9508	0.2107	143	0.1825	2633	X-RAY DIFFRACTION	98
1.9508-1.9932	0.2065	131	0.1719	2655	X-RAY DIFFRACTION	99
1.9932-2.0396	0.2071	131	0.1731	2671	X-RAY DIFFRACTION	99
2.0396-2.0906	0.2218	120	0.176	2677	X-RAY DIFFRACTION	99
2.0906-2.1471	0.1978	128	0.1722	2674	X-RAY DIFFRACTION	99
2.1471-2.2102	0.1986	143	0.1711	2678	X-RAY DIFFRACTION	99
2.2102-2.2815	0.1988	155	0.1673	2632	X-RAY DIFFRACTION	99
2.2815-2.363	0.1944	147	0.1715	2687	X-RAY DIFFRACTION	99
2.363-2.4576	0.1876	139	0.1735	2666	X-RAY DIFFRACTION	99
2.4576-2.5693	0.1803	152	0.1749	2679	X-RAY DIFFRACTION	99
2.5693-2.7047	0.2026	160	0.1765	2658	X-RAY DIFFRACTION	100
2.7047-2.874	0.196	136	0.1786	2707	X-RAY DIFFRACTION	100
2.874-3.0956	0.221	141	0.1825	2703	X-RAY DIFFRACTION	100
3.0956-3.4065	0.191	127	0.169	2726	X-RAY DIFFRACTION	100
3.4065-3.8981	0.1567	137	0.1557	2712	X-RAY DIFFRACTION	99
3.8981-4.9063	0.1737	142	0.145	2660	X-RAY DIFFRACTION	98
4.9063-26.7349	0.2135	144	0.2016	2611	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	6.1074	-1.531	2.9285	7.1649	-1.4027	2.0326	0.2496	-0.2085	0.1601	0.6488	-0.338	-0.2312	-0.2031	1.0311	0.0694	0.1788	-0.0069	-0.031	0.2204	-0.0179	0.1963	45.8318	-59.4612	125.3897
2	2.1521	0.3584	0.5555	6.6469	-4.1484	4.2158	-0.1325	0.054	0.2522	-0.1196	0.2408	0.1165	-0.0549	-0.2019	-0.0991	0.1496	0.0025	0.0035	0.1063	-0.0042	0.1332	34.8257	-50.7439	114.1704
3	6.7079	0.2414	5.0592	1.9139	0.0309	3.9454	0.0152	-0.2792	-0.2675	0.5511	0.0311	-0.0209	0.3778	-0.1148	-0.1765	0.285	0.0584	-0.0057	0.1712	0.0041	0.1155	37.3845	-66.231	133.2104
4	7.2293	-2.7981	-0.5766	4.478	-2.3037	2.96	-0.1697	-0.2048	0.3757	0.2469	0.2607	0.1124	-0.1754	-0.1827	-0.0677	0.1448	-0.0107	-0.0139	0.1151	-0.0166	0.1408	27.1832	-57.6187	119.5179
5	3.6944	2.0443	0.298	2.8149	-1.4589	8.2873	-0.3028	-1.1401	-0.1415	0.8586	0.3637	0.3934	0.2042	0.1767	-0.1128	0.2821	0.0902	0.0925	0.3613	0.0701	0.2065	27.5998	-68.4649	130.4708
6	1.6041	-1.7666	2.3924	2.4997	-1.8206	4.7613	0.1713	-1.0581	-1.0115	1.1843	0.2239	0.1691	1.6087	1.0098	-0.196	1.4216	0.3238	0.0595	0.6476	0.208	0.7541	29.4786	-79.1854	135.2662
7	6.6079	-4.3337	-0.1502	5.8159	-1.1354	2.588	-0.2642	-0.1812	-0.5223	0.1664	0.5204	0.8427	0.1478	-0.4494	-0.2165	0.1275	-0.0389	0.0235	0.207	0.055	0.1918	22.0841	-70.1408	121.6909
8	1.9947	4.1019	-3.9537	8.8476	3.9255	5.2885	-0.0315	1.5984	3.8847	-1.7928	1.1545	0.341	-1.7123	-1.4054	-1.0702	0.4757	0.102	0.1532	1.1904	0.546	2.0981	12.8174	-51.6227	114.5828
9	5.7752	0.2436	0.6192	6.9848	-3.3762	8.3716	0.1023	0.3812	0.7928	-0.7806	-0.108	0.506	-0.456	-0.7465	-0.0741	0.1961	0.0471	-0.087	0.2157	0.0019	0.2289	21.992	-56.7464	112.0112
10	8.5531	-1.3801	2.7094	5.1588	-0.6724	5.0328	-0.1257	-0.3069	-0.3532	0.4856	0.1926	-0.043	0.3276	0.1585	-0.1082	0.1782	0.0294	0.0061	0.1231	0.0015	0.1156	36.7578	-71.3502	123.0685
11	7.5346	-2.6766	4.4148	2.8417	-1.853	4.0854	0.0748	0.4965	0.0344	-0.27	-0.091	-0.2364	0.27	0.227	-0.0245	0.1676	-0.0144	0.0539	0.1173	-0.0156	0.1486	41.9249	-70.1991	111.1481
12	8.9857	-0.1916	-0.1305	5.7193	-1.5959	9.6241	0.7986	1.4065	-1.2922	-0.2942	-0.7977	-0.4422	1.4582	0.8741	-0.131	0.5353	0.1134	-0.1426	0.493	-0.0857	0.2497	29.2107	-73.819	101.2859
13	3.2688	-2.7613	0.2004	2.5565	0.6092	5.2357	0.2688	1.0053	0.0493	-0.6066	-0.2432	0.2669	0.1435	-0.3015	-0.0071	0.2572	-0.0357	-0.0575	0.414	0.0518	0.1889	20.7948	-64.9955	103.4386
14	4.1874	-3.4587	1.49	6.7942	-4.5866	4.5862	0.0462	-0.3488	-0.331	0.4059	-0.4132	-0.0362	-0.9756	-0.3292	0.3035	0.2788	-0.0306	-0.0677	0.3571	-0.0017	0.2513	10.0062	-58.376	100.2531
15	5.1641	-1.4549	1.6573	9.6247	-7.6543	8.6526	0.3964	-0.2008	-0.8251	-0.484	0.4219	0.6151	0.8359	-1.0886	-0.8485	0.3655	-0.0842	-0.0977	0.4036	0.0193	0.3422	8.0633	-66.2792	94.2156
16	3.896	0.6594	1.7481	2.1332	0.0486	3.381	0.0766	0.4299	-0.6505	-0.2443	0.1072	0.4577	0.2492	-0.0996	-0.18	0.1873	-0.0512	-0.0115	0.1507	-0.026	0.1722	26.2125	-73.1569	112.9595
17	1.1935	-2.1851	1.5512	6.1303	-3.8682	2.7162	-0.086	0.0634	-0.0073	-0.1543	0.0414	-0.3224	0.098	0.0513	0.0299	0.1512	-0.0018	0.0205	0.1166	-0.0253	0.1787	45.1331	-65.865	114.6273
18	3.561	1.4249	3.6798	3.6621	0.7779	5.6978	-0.0191	0.4359	-0.5227	-0.2171	-0.0442	-1.254	0.5827	1.4844	-0.1373	0.1721	0.0311	0.111	0.3096	0.0312	0.4425	54.4804	-62.4259	112.4686
19	3.5875	-0.8897	2.5368	3.9099	-3.151	7.8519	-0.1982	0.3201	0.2206	-0.2369	-0.0218	-0.6142	-0.2434	0.384	0.222	0.1866	-0.0816	0.049	0.1625	-0.0091	0.2887	49.3892	-53.6928	113.2457
20	4.8246	-0.1383	1.2332	2.6302	-0.7482	5.385	0.0365	-0.0112	-0.1783	-0.1429	-0.012	-0.5153	0.3096	0.2581	-0.0084	0.1091	-0.0046	0.0293	0.0697	-0.0299	0.1777	45.3338	-60.4824	117.6594
21	2.8363	1.2077	-4.3238	7.1606	-1.5183	7.6131	0.3286	0.2973	-0.1221	-0.4201	-0.1066	-0.3297	-0.144	1.2153	-0.1341	0.1709	-0.0259	0.0247	0.3066	-0.0232	0.2469	46.777	-63.0547	142.586
22	4.1711	2.2986	-3.4834	6.1567	-4.691	8.5919	-0.0425	-0.0748	-0.3953	0.1032	0.0783	-0.0212	0.3088	-0.2331	-0.0623	0.2011	-0.026	-0.0173	0.1274	-0.0247	0.1882	35.7651	-70.4483	152.2255
23	3.0195	0.8012	-3.7457	0.5387	-1.1704	8.4453	0.0313	0.1243	-0.0944	-0.0619	-0.0126	0.096	-0.2987	-0.0614	-0.0374	0.163	0.003	-0.0055	0.1287	-0.0199	0.1593	33.042	-60.897	143.8082
24	4.8365	1.3597	-6.1867	3.6861	-2.9302	8.3646	-0.2306	1.1255	-0.7294	-0.3425	0.2049	-0.3007	0.5425	-0.505	0.0082	0.2091	0.0016	-0.0136	0.385	-0.1253	0.2343	27.3817	-61.8731	142.1914
25	3.56	1.0864	-1.4885	7.4213	-1.9604	6.7349	-0.019	1.3311	0.573	-1.0062	0.3729	0.007	-1.344	-0.2442	-0.3482	0.5662	-0.0058	0.0535	0.5545	0.0769	0.2475	30.73	-48.436	135.6999
26	6.9766	5.8665	-1.6088	8.5362	-2.9576	3.7388	-0.0103	0.4134	0.3705	-0.0538	0.1993	0.5328	-0.3584	-0.5193	-0.1826	0.2083	0.0986	0.0277	0.2886	0.0049	0.1455	23.9089	-51.4675	145.7754
27	3.8166	-2.0388	2.9842	9.6127	3.7923	5.7719	0.252	-1.7812	-2.4473	2.4191	-0.4746	0.4066	1.7126	-0.3771	0.1617	0.7282	-0.1693	0.0283	0.9353	0.366	1.2342	13.1841	-68.6162	153.4664
28	7.4342	4.5138	-4.0731	7.6063	-4.2011	2.9888	0.2906	0.1966	-0.2697	0.4848	-0.1839	0.5729	0.0552	-0.7341	-0.1957	0.1933	-0.0662	0.0424	0.2791	-0.018	0.24	24.1124	-64.1405	155.2811
29	6.317	1.2099	0.2111	8.3071	-4.8066	3.1549	0.0262	0.6794	0.6232	-0.9362	0.0633	-0.3821	-0.7531	0.7423	-0.026	0.4922	-0.1629	0.1061	0.3029	-0.0077	0.2203	40.945	-50.6707	141.0631
30	4.5278	4.7607	-4.7061	6.6801	-5.0999	4.8986	-0.1885	-0.1871	-0.093	-0.0806	0.0012	-0.3633	-0.2583	0.3222	0.0726	0.2512	-0.0058	0.0202	0.1903	-0.0088	0.1546	35.7424	-51.1065	149.5099
31	3.2878	3.3991	1.1217	5.7545	0.3792	1.9303	0.2441	-0.6625	0.2326	0.6017	-0.1209	-0.3796	-0.5772	0.634	-0.0457	0.2744	-0.109	-0.0216	0.2569	-0.0465	0.284	47.209	-51.3628	154.6795
32	4.5273	-0.532	-3.1361	0.7755	0.3933	3.8256	0.1775	-0.8752	-0.1103	0.2854	-0.1394	-0.2925	-0.603	0.4733	-0.0442	0.279	-0.0372	-0.0202	0.272	0.0111	0.1491	34.3825	-52.4488	163.8054
33	7.3692	2.1283	0.9989	7.3371	-0.0998	3.6071	0.5552	-0.1744	1.1928	-0.067	-0.6502	0.2476	-1.2657	-0.1607	0.138	0.5529	0.0305	0.0428	0.3908	-0.0713	0.238	26.3039	-46.4624	165.8234
34	2.1951	0.4783	-2.8335	4.6973	2.7646	6.1507	0.1658	-1.1116	-0.6433	0.7285	-0.423	0.2572	0.2332	-0.1421	0.2325	0.2945	-0.0564	0.0324	0.526	0.0683	0.2062	23.9845	-58.384	169.3325
35	7.648	2.9532	-4.2533	5.1797	-1.521	5.1148	0.1089	0.0572	0.1274	0.113	0.0216	0.374	-0.2509	-0.7427	-0.1349	0.1741	0.0457	0.0157	0.2727	0.0134	0.1084	18.6404	-57.8291	158.3052
36	5.1165	1.3208	-1.7125	5.6099	-4.004	3.0034	0.2618	-0.1284	0.0462	-0.0687	-0.0106	-0.0375	0.5069	-1.0753	-0.1463	0.3548	-0.0676	0.0371	0.5468	-0.0034	0.207	9.8491	-61.8025	171.5531
37	4.0569	1.2167	-2.9684	2.7615	-0.4571	4.8658	0.051	-0.0756	0.1643	0.1416	-0.0019	0.2789	-0.3269	-0.3845	-0.1396	0.2701	0.0694	0.0185	0.2088	-0.0232	0.1604	24.9978	-49.0998	156.7154
38	2.7227	0.7743	-0.0544	2.5645	-0.4093	2.3847	0.0623	-0.0652	-0.0765	0.1486	-0.064	-0.559	-0.198	0.885	0.0251	0.1584	-0.0596	-0.0279	0.344	-0.0178	0.2718	51.0851	-60.7816	152.8402
39	5.1885	-0.4627	0.1802	4.0808	-0.4168	5.056	-0.0191	-0.6137	-0.3054	0.5483	-0.0335	-0.3969	0.4336	0.4579	0.0516	0.2154	0.0121	-0.0806	0.2269	0.0297	0.197	44.2614	-68.5059	158.6045
40	2.2921	0.9175	-0.161	3.3577	2.7357	2.6728	-0.3377	0.3022	1.1508	0.1653	0.2229	-2.0492	-1.6031	1.5819	0.1277	0.3656	-0.2412	0.0052	0.5865	0.0349	0.639	54.0355	-54.0558	142.8172

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(chain A and resid 58:63)
2	X-RAY DIFFRACTION	2	(chain A and resid 64:78)
3	X-RAY DIFFRACTION	3	(chain A and resid 79:88)
4	X-RAY DIFFRACTION	4	(chain A and resid 89:108)
5	X-RAY DIFFRACTION	5	(chain A and resid 109:117)
6	X-RAY DIFFRACTION	6	(chain A and resid 118:124)
7	X-RAY DIFFRACTION	7	(chain A and resid 125:150)
8	X-RAY DIFFRACTION	8	(chain A and resid 151:156)
9	X-RAY DIFFRACTION	9	(chain A and resid 157:162)
10	X-RAY DIFFRACTION	10	(chain A and resid 163:178)
11	X-RAY DIFFRACTION	11	(chain A and resid 179:199)
12	X-RAY DIFFRACTION	12	(chain A and resid 200:213)
13	X-RAY DIFFRACTION	13	(chain A and resid 214:243)
14	X-RAY DIFFRACTION	14	(chain A and resid 244:258)
15	X-RAY DIFFRACTION	15	(chain A and resid 259:268)
16	X-RAY DIFFRACTION	16	(chain A and resid 269:282)
17	X-RAY DIFFRACTION	17	(chain A and resid 283:302)
18	X-RAY DIFFRACTION	18	(chain A and resid 303:317)
19	X-RAY DIFFRACTION	19	(chain A and resid 318:337)
20	X-RAY DIFFRACTION	20	(chain A and resid 338:351)
21	X-RAY DIFFRACTION	21	(chain B and resid 58:63)
22	X-RAY DIFFRACTION	22	(chain B and resid 64:79)
23	X-RAY DIFFRACTION	23	(chain B and resid 80:102)
24	X-RAY DIFFRACTION	24	(chain B and resid 103:109)
25	X-RAY DIFFRACTION	25	(chain B and resid 110:125)
26	X-RAY DIFFRACTION	26	(chain B and resid 126:149)
27	X-RAY DIFFRACTION	27	(chain B and resid 150:156)
28	X-RAY DIFFRACTION	28	(chain B and resid 157:163)
29	X-RAY DIFFRACTION	29	(chain B and resid 164:172)
30	X-RAY DIFFRACTION	30	(chain B and resid 173:179)
31	X-RAY DIFFRACTION	31	(chain B and resid 180:194)
32	X-RAY DIFFRACTION	32	(chain B and resid 195:203)
33	X-RAY DIFFRACTION	33	(chain B and resid 204:219)
34	X-RAY DIFFRACTION	34	(chain B and resid 220:232)
35	X-RAY DIFFRACTION	35	(chain B and resid 233:246)
36	X-RAY DIFFRACTION	36	(chain B and resid 247:265)
37	X-RAY DIFFRACTION	37	(chain B and resid 266:283)
38	X-RAY DIFFRACTION	38	(chain B and resid 284:330)
39	X-RAY DIFFRACTION	39	(chain B and resid 331:345)
40	X-RAY DIFFRACTION	40	(chain B and resid 346:351)

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