PDB-5mlf: Structure of Psb29 at 1.55A

ID or keywords:

Entry

Database: PDB / ID: 5mlf

Title

Structure of Psb29 at 1.55A

Components

Protein Thf1

Keywords

PHOTOSYNTHESIS /

photosystem II FtsH

Function / homology

Protein Thf1 / Thylakoid formation protein /

photosystem II assembly /

: / Protein Thf1

Function and homology information

Biological species

Thermosynechococcus elongatus (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.637 Å

Authors

Murray, J.W. / Kozlo, A.

Citation

Journal: Philos. Trans. R. Soc. Lond., B, Biol. Sci. / Year: 2017
Title: Structure of Psb29/Thf1 and its association with the FtsH protease complex involved in photosystem II repair in cyanobacteria.
Authors: Bec Kova, M. / Yu, J. / Krynicka, V. / Kozlo, A. / Shao, S. / Konik, P. / Komenda, J. / Murray, J.W. / Nixon, P.J.

History

Deposition	Dec 6, 2016	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Aug 23, 2017	Provider: repository / Type: Initial release
Revision 1.1	Jan 17, 2024	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5mlf.cif.gz	577.8 KB	Display	PDBx/mmCIF format
PDB format	pdb5mlf.ent.gz	484 KB	Display	PDB format
PDBx/mmJSON format	5mlf.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/ml/5mlf ftp://data.pdbj.org/pub/pdb/validation_reports/ml/5mlf	HTTPS FTP

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Related structure data

Related structure data	5mjoC 5mjrSC 5mjwC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	3tf7-3 4ftr-d 5tzn-1 4ftn-d 2aj2-d 2e9p-d 4jin-d 2ym4-d 3jvs-d 4o8s-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) 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

5mjoC

5mjrSC

5mjwC

S: Starting model for refinement

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	#147 - Mar 2012 Rhodopsin similarity (1) #100 - Apr 2008 Adrenergic Receptors similarity (1) #156 - Dec 2012 ABO Blood Type Glycosyltransferases similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #196 - Apr 2016 Lead Poisoning similarity (1) #224 - Aug 2018 Legumain similarity (1) #225 - Sep 2018 Phytase similarity (1) #238 - Oct 2019 Ribonucleotide Reductase similarity (1) #27 - Mar 2002 Bacteriorhodopsin similarity (1) #49 - Jan 2004 Carbonic Anhydrase similarity (1) #58 - Oct 2004 G Proteins similarity (1) #66 - Jun 2005 Carotenoid Oxygenase similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#147 - Mar 2012
Rhodopsin
similarity (1)
#100 - Apr 2008
Adrenergic Receptors
similarity (1)
#156 - Dec 2012
ABO Blood Type Glycosyltransferases
similarity (1)
#160 - Apr 2013
Actinomycin
similarity (1)
#172 - Apr 2014
RecA and Rad51
similarity (1)
#196 - Apr 2016
Lead Poisoning
similarity (1)
#224 - Aug 2018
Legumain
similarity (1)
#225 - Sep 2018
Phytase
similarity (1)
#238 - Oct 2019
Ribonucleotide Reductase
similarity (1)
#27 - Mar 2002
Bacteriorhodopsin
similarity (1)
#49 - Jan 2004
Carbonic Anhydrase
similarity (1)
#58 - Oct 2004
G Proteins
similarity (1)
#66 - Jun 2005
Carotenoid Oxygenase
similarity (1)
#241 - Jan 2020
Twenty Years of Molecules
similarity (1)

Deposited unit

A: Protein Thf1

B: Protein Thf1

C: Protein Thf1

D: Protein Thf1

E: Protein Thf1

G: Protein Thf1

F: Protein Thf1

hetero molecules

192 kDa, 7 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Protein Thf1

hetero molecules

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

2

B: Protein Thf1

hetero molecules

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

3

C: Protein Thf1

hetero molecules

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

4

D: Protein Thf1

hetero molecules

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

5

E: Protein Thf1

hetero molecules

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

6

G: Protein Thf1

hetero molecules

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

7

F: Protein Thf1

hetero molecules

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

Unit cell

Length a, b, c (Å)	138.910, 138.910, 305.910
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	182
Space group name H-M	P6₃22

#1: Protein	Protein Thf1 / psb29 Mass: 27268.848 Da / Num. of mol.: 7 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Thermosynechococcus elongatus (strain BP-1) (bacteria) Strain: BP-1 / Gene: thf1, tlr1134 / Plasmid: pRSETA modified / Production host: Escherichia coli (E. coli) / Strain (production host): KRX / References: UniProt: Q8DJT8
#2: Chemical	ChemComp-HG / MERCURY (II) ION / Mercury (element) Mass: 200.590 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Hg

#1: Protein

Protein Thf1 / psb29

Mass: 27268.848 Da / Num. of mol.: 7
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Thermosynechococcus elongatus (strain BP-1) (bacteria)
Strain: BP-1 / Gene: thf1, tlr1134 / Plasmid: pRSETA modified / Production host:

Escherichia coli (E. coli) / Strain (production host): KRX / References: UniProt: Q8DJT8

#2: Chemical

ChemComp-HG / MERCURY (II) ION /

Mercury (element)

Mass: 200.590 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Hg

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.41 Å³/Da / Density % sol: 48.97 % / Description: long thin rods
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 5 / Details: 16% w/v PEG 6K, 80mM Na citrate pH 5

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9537 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Feb 9, 2011
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9537 Å / Relative weight: 1
Reflection	Resolution: 3.637→55.98 Å / Num. obs: 20447 / % possible obs: 99.92 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 13.64 % / R_merge(I) obs: 0.394 / Net I/av σ(I): 7.3697 / Net I/σ(I): 1.8947
Reflection shell	Resolution: 3.637→3.73 Å / Redundancy: 14.51 % / R_merge(I) obs: 0.76 / Mean I/σ(I) obs: 1.01 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	(1.11.1_2575: ???)	refinement
xia2		data reduction
xia2		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5MJR

5mjr

Resolution: 3.637→55.977 Å / SU ML: 0.69 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 37.58 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.3575	1045	5.13 %
R_work	0.311	-	-
obs	0.3134	20386	99.83 %

Solvent computation

Shrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 3.637→55.977 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11200	0	7	0	11207

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	11529
X-RAY DIFFRACTION	f_angle_d	0.471	15694
X-RAY DIFFRACTION	f_dihedral_angle_d	11.678	7021
X-RAY DIFFRACTION	f_chiral_restr	0.033	1757
X-RAY DIFFRACTION	f_plane_restr	0.003	2079

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 (%)
3.6375-3.8292	0.4012	161	0.3569	2678	X-RAY DIFFRACTION	100
3.8292-4.0691	0.4399	142	0.3548	2691	X-RAY DIFFRACTION	100
4.0691-4.3831	0.3967	124	0.3306	2746	X-RAY DIFFRACTION	100
4.3831-4.824	0.3226	168	0.307	2699	X-RAY DIFFRACTION	100
4.824-5.5215	0.3798	155	0.3284	2747	X-RAY DIFFRACTION	100
5.5215-6.9544	0.3783	129	0.3011	2822	X-RAY DIFFRACTION	100
6.9544-55.9836	0.2679	166	0.2408	2958	X-RAY DIFFRACTION	99

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	0.1726	0.0267	-0.0498	0.0047	-0.0143	0.0373	0.1665	-0.2938	-0.0852	0.1061	-0.0387	-0.0614	0.078	0.0494	0.1365	1.0295	-0.3321	0.3894	0.4996	0.1005	0.8301	29.3408	-24.2717	70.2196
2	0.0481	0.0699	0.0138	0.0626	0.0148	0.1414	0.1772	-0.117	0.1466	0.0638	0.037	-0.1496	-0.2551	0.1172	0.2505	0.7724	-0.3467	0.2338	-0.2472	-0.5475	0.5667	36.8953	-29.4555	61.0837
3	0.0053	0.0025	0.0271	0.0046	0.0225	0.0943	0.0637	-0.0589	0.0985	-0.0008	0.0367	0.3222	-0.0362	0.0669	0.0278	1.3963	-0.5891	0.2311	0.7228	0.0529	1.0285	33.4025	-18.981	61.9842
4	0.0631	0.0497	-0.0233	0.1303	-0.0523	0.0477	0.0066	-0.1351	-0.0055	0.2112	-0.1377	0.0412	-0.0233	0.0738	-0.2355	0.2339	-0.1488	-0.0462	0.1928	0.0799	0.387	51.0622	-28.8671	51.0113
5	0.0689	-0.0508	0.1223	0.1225	-0.2655	0.4359	0.0929	-0.0025	-0.1906	0.3322	0.2501	0.6547	-0.4925	-0.3704	-0.1383	-0.5201	-0.2418	0.6694	0.1574	0.2544	-0.1493	34.5035	-35.6051	48.084
6	0.2379	0.2663	-0.3196	0.2862	-0.3584	0.451	0.3133	0.2956	-0.3675	-0.0122	0.1868	0.3376	0.0899	0.037	0.1404	0.9699	-0.2526	-0.5789	1.4789	0.5777	1.2694	17.0772	-34.6616	17.0832
7	0.2439	0.0229	0.034	0.1289	0.0363	0.0093	-0.0945	0.0438	0.3125	-0.0965	0.0857	0.108	-0.0802	0.0038	0.1103	0.6517	0.4645	-0.3882	0.9721	0.3548	0.4374	23.5591	-40.3238	21.5734
8	0.2189	0.0322	0.3768	0.009	0.0396	0.6996	0.1108	-0.1266	0.2807	-0.1204	0.5738	0.0441	0.2069	0.0322	0.1294	0.5156	-0.0243	0.194	0.9702	0.0167	0.678	18.9574	-44.529	28.9549
9	0.0796	0.0604	-0.1343	0.0505	-0.1086	0.2463	0.1915	-0.1928	0.1875	0.1144	0.3065	0.0022	-0.0779	-0.0327	0.0406	0.2614	0.2051	-0.041	1.0789	0.1278	0.7764	11.0364	-37.5583	25.2605
10	0.2356	-0.0311	-0.2032	0.0812	0.0939	0.2513	-0.0262	0.6545	0.1912	-0.2368	0.2918	0.227	-0.0912	-0.3478	0.2406	0.5813	-0.6098	0.3082	1.0776	0.0994	0.4486	15.067	-54.6975	38.0543
11	0.0005	-0.006	-0.0152	0.0375	0.0354	0.0416	-0.0279	0.0143	-0.1195	0.1048	0.0451	0.1167	0.2181	-0.133	-0.0368	0.1598	0.3702	-0.3387	0.4695	-0.1318	0.1318	21.3621	-60.535	33.4008
12	0.4783	-0.0591	0.042	0.2386	0.0891	0.3924	0.107	-0.147	0.516	0.0947	-0.3599	-0.0068	0.038	-0.5171	-0.839	0.2388	0.0173	0.1582	0.6614	-0.1862	0.1567	27.0097	-41.7411	39.3336
13	0.0486	0.0801	0.0089	0.1214	0.0201	0.0281	-0.0333	0.0234	-0.0064	-0.1048	-0.0888	0.21	0.1797	0.0156	0.0012	0.9216	-0.4059	-0.2404	0.9771	0.5405	1.1419	33.189	-27.1637	-9.5212
14	0.0065	-0.0168	0.0039	0.0549	-0.0118	0.0027	0.1599	-0.0896	-0.0565	-0.1135	-0.0019	0.0178	-0.0008	0.0087	0.0485	0.562	-0.0099	0.1605	0.397	0.3242	0.563	26.1003	-18.1409	1.4685
15	0.0602	-0.0502	-0.061	0.0677	0.0293	0.1424	-0.0314	-0.0313	0.2476	-0.0596	0.0157	0.1805	-0.0856	-0.0318	0.1112	0.114	-0.3444	-0.2446	0.5118	-0.0703	0.6374	38.5017	-25.7259	-0.3982
16	0.0397	0.0684	0.0446	0.1272	0.0756	0.0488	-0.0494	-0.0739	-0.0091	0.0352	0.0926	0.0628	-0.048	-0.0155	-0.0868	1.14	-0.0948	-0.0112	0.5948	0.4044	0.696	43.9227	-39.8841	-1.048
17	0.0744	0.023	-0.0564	0.0555	0.0187	0.0748	0.1201	-0.0275	0.1036	-0.0593	0.1188	0.0043	-0.0486	-0.0811	0.182	-0.2027	-0.3115	-0.2458	0.3824	0.2252	1.0148	32.622	-27.8005	10.5009
18	0.0509	0.0698	-0.0426	0.1135	-0.0741	0.0461	0.0098	-0.008	0.1286	-0.0658	0.1141	0.1729	0.0149	-0.0689	0.2026	0.5321	-0.6003	-0.0752	0.8409	0.4442	0.3165	25.9826	-28.6626	3.1728
19	0.0864	0.0391	0.0127	0.1547	0.0163	0.0772	0.0582	-0.0566	-0.2069	-0.2199	0.2454	-0.05	0.0951	-0.0118	0.0938	-0.1689	0.0337	0.3035	0.0367	-0.1205	0.292	39.7607	-43.2266	14.4438
20	0.1995	-0.064	0.1122	0.1286	-0.2158	0.3001	-0.1262	0.094	-0.1875	-0.0756	-0.0171	0.1143	0.0766	0.0701	-0.1061	-0.2554	0.6893	0.4566	0.0555	-0.1415	-0.085	42.5699	-33.0191	20.1252
21	0.074	-0.061	0.0228	0.0526	-0.0217	0.085	-0.0861	0.0351	0.148	-0.2121	-0.0188	-0.1473	0.1743	0.0112	0.0293	0.2493	-0.0199	-0.0003	0.6636	0.1992	0.3977	52.5427	-36.8952	19.3134
22	0.7062	0.0401	-0.1307	0.4929	-0.3516	0.6853	0.2213	0.2015	0.2805	0.125	0.3372	0.2805	0.0479	0.0459	0.85	0.2239	0.3057	-0.0466	0.4014	-0.0967	0.0559	37.5239	-16.413	14.958
23	0.27	-0.0645	0.0498	0.3618	0.672	1.3446	0.2312	-0.185	0.1327	0.1642	0.418	-0.1459	0.1657	-0.0745	0.1755	0.9277	-0.2579	0.6638	0.3919	0.0245	1.3726	36.6954	-8.6933	48.5052
24	0.0239	0.0237	-0.0236	0.1115	0.086	0.1754	-0.03	0.0069	0.0614	0.0165	-0.1949	0.2095	-0.2348	0.1037	-0.4183	0.6449	0.0546	0.0914	0.4721	-0.5122	0.2721	48.8051	-12.107	44.4098
25	0.2292	0.0307	0.0551	0.3328	-0.1748	0.1055	0.1071	0.0137	-0.029	0.1643	0.1915	0.2769	0.035	-0.0289	0.3643	0.3953	-0.402	0.3785	-0.2776	-0.0338	0.4601	41.8714	-7.9908	33.1111
26	0.0129	-0.0333	0.0022	0.1144	-0.0384	0.0652	0.1145	0.0681	-0.0924	-0.0116	0.0254	0.1988	-0.022	-0.0126	0.0482	0.9559	0.552	0.5101	0.8196	0.1259	1.1024	38.2592	-2.1632	40.3047
27	0.01	0.0055	-0.0111	0.0034	-0.0133	0.1369	0.0855	-0.1154	-0.0536	0.1125	0.1487	-0.025	0.0314	-0.0064	0.3361	0.6899	0.1158	0.4038	0.1478	-0.4718	0.5813	51.1189	0.4409	33.8028
28	0.1293	-0.0374	0.1148	0.001	-0.0121	0.1103	0.1008	-0.0816	-0.2061	0.219	0.0648	0.083	0.0529	0.0653	0.4266	-0.1233	0.2102	-0.3536	0.0046	0.0357	0.4917	63.0369	-6.6583	26.6427
29	0.0772	0.0779	0.0566	0.3541	-0.1938	0.182	-0.1984	-0.4012	-0.2236	0.4518	-0.0453	-0.126	-0.2955	-0.2493	-0.7053	-0.2085	0.628	-0.3484	-0.4822	0.4767	0.0636	46.1035	-16.8453	26.4265
30	0.2946	-0.1037	0.3299	0.301	-0.0562	0.3834	-0.2246	-0.0315	0.0043	0.0185	-0.1173	0.0477	-0.055	-0.1558	-0.2892	0.9212	-0.4201	0.3729	0.7282	-0.5386	0.5879	19.0722	-38.0382	96.7442
31	-0.0016	-0.005	-0.0119	-0.0022	-0.0023	-0.0031	-0.1138	-0.1226	0.0639	-0.0012	0.0236	0.0699	-0.0015	-0.1425	-0.1872	0.6722	-0.0632	0.8139	0.6874	-0.3902	0.6423	14.7694	-38.0075	86.8907
32	0.1089	0.0123	-0.0829	0.4308	0.3905	0.5644	0.0725	0.0777	0.3072	0.1511	0.3658	0.2854	0.038	0.0101	0.6041	0.5109	-0.3122	0.4113	0.3233	-0.0796	0.5389	22.8005	-42.1346	80.3643
33	-0.0307	0.0115	-0.0297	0.0306	-0.0058	-0.0152	0.4829	-0.3395	0.1791	0.3247	-0.2035	0.1253	-0.4658	0.3502	0.9252	0.6233	-0.2214	0.3876	0.3537	-0.0479	0.038	30.7838	-44.1976	75.6414
34	0.2561	-0.054	0.0164	0.1502	-0.0073	0.0519	0.119	0.1623	0.2554	0.0904	0.0871	0.1408	0.0183	-0.0667	0.1372	0.5924	-0.1279	0.0512	0.1547	0.0092	0.2875	23.0035	-49.1001	67.3373
35	0.144	0.0974	-0.0969	0.0774	-0.0535	0.1114	0.0455	0.0254	0.055	0.0479	0.0437	0.0422	-0.0423	-0.0104	0.1939	0.5751	0.1278	0.7521	0.4495	0.3406	0.9763	24.7925	-59.5888	68.4058
36	0.0678	0.0956	0.0767	0.1496	0.0228	0.2734	0.0851	0.023	0.0609	0.0808	0.0333	0.0644	-0.2808	0.0849	-0.0403	0.3908	-0.015	0.1403	0.1946	0.1839	0.8053	7.7442	-40.6776	72.2908
37	0.151	0.0787	0.0366	0.042	-0.0283	0.2337	0.2808	0.1371	0.2081	-0.1087	0.1506	-0.026	0.2034	-0.115	0.6401	0.0546	0.5101	0.0346	0.5129	0.2717	0.7994	0.9032	-44.9636	41.1246
38	0.2043	-0.0586	-0.11	0.0256	0.0301	0.0794	0.1189	0.1196	0.1925	-0.0745	-0.0834	-0.1346	-0.1886	-0.2676	-0.0783	0.598	0.1928	0.2393	0.876	0.373	0.893	-1.2598	-43.2201	54.411
39	0	0.0024	-0.0009	0.0053	-0.0126	0.0376	0.0307	-0.1145	0.0884	0.0116	-0.0034	-0.0126	0.0185	-0.0204	0.0946	0.7071	0.5222	0.3797	1.1621	0.0594	1.131	-6.043	-38.415	47.1435
40	0.0006	-0.0112	-0.0084	0.0176	-0.0037	-0.0016	-0.1271	0.3537	0.0969	-0.0673	-0.0543	0.0787	0.0045	0.1134	-0.3047	0.417	0.2247	0.3897	0.9057	0.754	0.3673	-11.6357	-50.1661	53.7881
41	0.5567	-0.6135	-0.1986	0.9107	0.5296	0.7312	0.4401	0.0782	0.1391	-0.4705	0.5008	-0.1958	-0.0237	-0.3966	2.0569	0.156	-0.0436	0.2127	0.5401	0.1988	0.2076	2.2648	-53.4685	61.1815
42	0.0046	0.0179	0.0106	0.0445	0.0336	0.0276	-0.0734	0.0766	0.0048	-0.0314	-0.0633	0.0579	-0.0331	0.0344	-0.1637	1.0523	-0.6737	-0.4827	0.4789	0.1478	0.5927	41.8841	-10.3586	-31.2021
43	0.0359	0.0084	0.0372	0.0044	0.0094	0.0401	0.1595	0.066	-0.0334	-0.0454	-0.026	-0.0076	0.0085	0.0669	0.0195	0.6596	0.0479	0.0345	0.2096	-0.2518	0.4905	31.764	-5.095	-20.1682
44	0.0333	-0.0137	-0.0122	0.0892	-0.056	0.0998	0.1179	0.0421	0.0623	-0.1084	-0.0231	0.3944	0.1147	-0.0761	0.0444	0.6494	-0.2615	-0.3487	0.0821	-0.0189	0.7524	46.1842	-6.7298	-22.1369
45	0.1602	0.1072	-0.0094	0.1782	-0.019	0.1154	-0.0533	0.0406	0.0766	-0.249	0.1088	-0.0262	0.1403	0.0098	0.1089	0.5832	-0.6147	0.5171	0.2444	-0.0216	0.1076	46.5332	-12.9271	-14.7357
46	0.021	-0.0372	0.0079	0.1953	0.1083	0.113	0.1198	-0.0126	0.0796	0.0218	0.12	0.1256	-0.1137	-0.0176	0.2165	1.1211	-0.6003	-0.3049	0.769	0.5697	1.0251	36.1261	-14.6541	-18.4177
47	0.032	0.0426	0.0452	0.1682	0.0082	0.1233	-0.0049	0.0093	-0.1157	-0.0808	-0.0161	-0.1501	-0.133	-0.0211	0.1619	0.991	-1.017	-0.1238	0.8538	0.4159	0.5013	46.3712	-22.6445	-11.7314
48	-0.0003	-0.0042	0.0077	0.0736	-0.1099	0.166	-0.0117	-0.0271	-0.0045	0.1081	-0.1008	-0.0006	0.0298	0.0182	-0.1491	1.0717	-0.0663	0.3628	0.2482	0.0701	0.0102	59.7794	-21.9422	3.0355
49	0.4736	-0.1902	-0.4263	0.1514	0.2583	0.5008	0.2104	0.0877	0.2132	-0.2558	0.0693	-0.1418	-0.3386	0.1718	0.261	0.1816	-0.1605	0.3764	0.3999	-0.1733	0.0473	56.9612	-17.2202	-8.3924
50	0.0013	0.0261	-0.0149	0.0818	-0.0457	0.0226	-0.0776	-0.0451	0.1973	-0.1871	-0.0416	-0.0304	0.0799	-0.066	-0.1018	0.1982	-0.3406	-0.0489	0.2359	0.7893	0.0732	60.2171	-10.4766	0.4339
51	0.0198	0.0045	-0.0762	0.0064	-0.0793	0.1625	0.0233	-0.2726	0.1148	0.0503	-0.1229	0.1299	0.2243	-0.0045	0.122	-0.1571	0.0107	0.2401	0.0125	-0.2486	0.1619	41.5012	1.4295	-6.8087

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 4 through 26 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 27 through 69 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 70 through 84 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 85 through 132 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 133 through 206 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 4 through 26 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 27 through 41 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 42 through 69 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 70 through 84 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 85 through 114 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 115 through 132 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 133 through 206 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 4 through 17 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 18 through 26 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 27 through 41 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 42 through 49 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 50 through 69 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 70 through 84 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 85 through 132 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 133 through 153 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 154 through 168 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 169 through 206 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 4 through 26 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 27 through 49 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 50 through 69 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 70 through 84 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 85 through 101 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 102 through 132 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 133 through 206 )
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 4 through 17 )
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 18 through 41 )
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 42 through 69 )
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 70 through 132 )
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 133 through 153 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 154 through 168 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 169 through 206 )
37	X-RAY DIFFRACTION	37	chain 'G' and (resid 4 through 49 )
38	X-RAY DIFFRACTION	38	chain 'G' and (resid 50 through 69 )
39	X-RAY DIFFRACTION	39	chain 'G' and (resid 70 through 84 )
40	X-RAY DIFFRACTION	40	chain 'G' and (resid 85 through 101 )
41	X-RAY DIFFRACTION	41	chain 'G' and (resid 102 through 206 )
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 4 through 17 )
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 18 through 26 )
44	X-RAY DIFFRACTION	44	chain 'F' and (resid 27 through 41 )
45	X-RAY DIFFRACTION	45	chain 'F' and (resid 42 through 69 )
46	X-RAY DIFFRACTION	46	chain 'F' and (resid 70 through 84 )
47	X-RAY DIFFRACTION	47	chain 'F' and (resid 85 through 101 )
48	X-RAY DIFFRACTION	48	chain 'F' and (resid 102 through 114 )
49	X-RAY DIFFRACTION	49	chain 'F' and (resid 115 through 145 )
50	X-RAY DIFFRACTION	50	chain 'F' and (resid 146 through 168 )
51	X-RAY DIFFRACTION	51	chain 'F' and (resid 169 through 206 )

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