PDB-6utl: Yeast Thiol Specific antoxidant 2 with C171S mutation and catalyt...

ID or keywords:

Entry

Database: PDB / ID: 6utl

Title

Yeast Thiol Specific antoxidant 2 with C171S mutation and catalytic cysteine alkylated with iodoacetamide

Components

Peroxiredoxin TSA2

Keywords

OXIDOREDUCTASE / Peroxiredoxin / 2-Cys Prx / Peroxidase / Iodoacetamide

Function / homology

Function and homology information

TP53 Regulates Metabolic Genes / Detoxification of Reactive Oxygen Species / peroxiredoxin activity / thioredoxin-dependent peroxiredoxin / thioredoxin peroxidase activity / Neutrophil degranulation / cell redox homeostasis / hydrogen peroxide catabolic process / protein folding / cellular response to heat ...
Similarity search - Function

Biological species

Saccharomyces cerevisiae (brewer's yeast)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.6 Å

Authors

Tairum, C.A. / Bannitz-Fernandes, R. / Tonoli, C.C.C. / Murakami, M.T. / de Oliveira, M.A. / Netto, L.E.S.

Funding support

Brazil, 1items

Citation

Journal: Free Radic Biol Med / Year: 2020
Title: Reduction of sulfenic acids by ascorbate in proteins, connecting thiol-dependent to alternative redox pathways.
Authors: Anschau, V. / Ferrer-Sueta, G. / Aleixo-Silva, R.L. / Bannitz Fernandes, R. / Tairum, C.A. / Tonoli, C.C.C. / Murakami, M.T. / de Oliveira, M.A. / Netto, L.E.S.

History

Deposition	Oct 29, 2019	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 15, 2020	Provider: repository / Type: Initial release
Revision 1.1	Aug 5, 2020	Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.name
Revision 1.2	Oct 11, 2023	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 / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	6utl_validation.pdf.gz	544.3 KB	Display	wwPDB validaton report
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Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ut/6utl ftp://data.pdbj.org/pub/pdb/validation_reports/ut/6utl	HTTPS FTP

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Related structure data

Related structure data	5dvbS S: Starting model for refinement
Similar structure data	6e0g-d 3tjj-1 4kb3-d 3tjg-1 3tjb-1 1yex-1 4rqx-1 1e2y-d 6j13-2 3zlp-3 1yep-1 1yf1-3 3zl5-d 4xrd-1 3vwu-d 6j13-1 3zlp-4 4fh8-d 1yf0-1 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
Related items in Molecule of the Month	#36 - Dec 2002 Cytochrome c similarity (1) #50 - Feb 2004 Glycolytic Enzymes similarity (1) #166 - Oct 2013 Proteasome similarity (1) #196 - Apr 2016 Lead Poisoning similarity (1) #219 - Mar 2018 Vacuolar ATPase similarity (1) #108 - Dec 2008 Hsp90 similarity (1) #203 - Nov 2016 Aminopeptidase 1 and Autophagy similarity (1) #81 - Sep 2006 Elongation Factors similarity (1) #85 - Jan 2007 Importins similarity (1) #24 - Dec 2001 Glycogen Phosphorylase similarity (1) #60 - Dec 2004 Ubiquitin similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#36 - Dec 2002
Cytochrome c
similarity (1)
#50 - Feb 2004
Glycolytic Enzymes
similarity (1)
#166 - Oct 2013
Proteasome
similarity (1)
#196 - Apr 2016
Lead Poisoning
similarity (1)
#219 - Mar 2018
Vacuolar ATPase
similarity (1)
#108 - Dec 2008
Hsp90
similarity (1)
#203 - Nov 2016
Aminopeptidase 1 and Autophagy
similarity (1)
#81 - Sep 2006
Elongation Factors
similarity (1)
#85 - Jan 2007
Importins
similarity (1)
#24 - Dec 2001
Glycogen Phosphorylase
similarity (1)
#60 - Dec 2004
Ubiquitin
similarity (1)

Deposited unit

A: Peroxiredoxin TSA2

B: Peroxiredoxin TSA2

C: Peroxiredoxin TSA2

D: Peroxiredoxin TSA2

E: Peroxiredoxin TSA2

F: Peroxiredoxin TSA2

G: Peroxiredoxin TSA2

H: Peroxiredoxin TSA2

I: Peroxiredoxin TSA2

J: Peroxiredoxin TSA2

239 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	53.365, 177.306, 115.262
Angle α, β, γ (deg.)	90.000, 103.280, 90.000
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: _ / Refine code: _

Dom-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	MET	MET	LYS	LYS	A	A	1 - 164	21 - 184
2	1	MET	MET	LYS	LYS	B	B	1 - 164	21 - 184
1	2	MET	MET	ASN	ASN	A	A	1 - 165	21 - 185
2	2	MET	MET	ASN	ASN	C	C	1 - 165	21 - 185
1	3	MET	MET	LYS	LYS	A	A	1 - 164	21 - 184
2	3	MET	MET	LYS	LYS	D	D	1 - 164	21 - 184
1	4	VAL	VAL	LYS	LYS	A	A	2 - 164	22 - 184
2	4	VAL	VAL	LYS	LYS	E	E	2 - 164	22 - 184
1	5	MET	MET	LYS	LYS	A	A	1 - 164	21 - 184
2	5	MET	MET	LYS	LYS	F	F	1 - 164	21 - 184
1	6	VAL	VAL	ASN	ASN	A	A	2 - 165	22 - 185
2	6	VAL	VAL	ASN	ASN	G	G	2 - 165	22 - 185
1	7	MET	MET	THR	THR	A	A	1 - 167	21 - 187
2	7	MET	MET	THR	THR	H	H	1 - 167	21 - 187
1	8	VAL	VAL	ASP	ASP	A	A	2 - 163	22 - 183
2	8	VAL	VAL	ASP	ASP	I	I	2 - 163	22 - 183
1	9	VAL	VAL	LYS	LYS	A	A	2 - 164	22 - 184
2	9	VAL	VAL	LYS	LYS	J	J	2 - 164	22 - 184
1	10	MET	MET	LYS	LYS	B	B	1 - 164	21 - 184
2	10	MET	MET	LYS	LYS	C	C	1 - 164	21 - 184
1	11	MET	MET	ASN	ASN	B	B	1 - 165	21 - 185
2	11	MET	MET	ASN	ASN	D	D	1 - 165	21 - 185
1	12	VAL	VAL	LYS	LYS	B	B	2 - 164	22 - 184
2	12	VAL	VAL	LYS	LYS	E	E	2 - 164	22 - 184
1	13	MET	MET	ASN	ASN	B	B	1 - 165	21 - 185
2	13	MET	MET	ASN	ASN	F	F	1 - 165	21 - 185
1	14	VAL	VAL	LYS	LYS	B	B	2 - 164	22 - 184
2	14	VAL	VAL	LYS	LYS	G	G	2 - 164	22 - 184
1	15	MET	MET	LYS	LYS	B	B	1 - 164	21 - 184
2	15	MET	MET	LYS	LYS	H	H	1 - 164	21 - 184
1	16	VAL	VAL	ASP	ASP	B	B	2 - 163	22 - 183
2	16	VAL	VAL	ASP	ASP	I	I	2 - 163	22 - 183
1	17	VAL	VAL	LYS	LYS	B	B	2 - 164	22 - 184
2	17	VAL	VAL	LYS	LYS	J	J	2 - 164	22 - 184
1	18	MET	MET	LYS	LYS	C	C	1 - 164	21 - 184
2	18	MET	MET	LYS	LYS	D	D	1 - 164	21 - 184
1	19	VAL	VAL	LYS	LYS	C	C	2 - 164	22 - 184
2	19	VAL	VAL	LYS	LYS	E	E	2 - 164	22 - 184
1	20	MET	MET	LYS	LYS	C	C	1 - 164	21 - 184
2	20	MET	MET	LYS	LYS	F	F	1 - 164	21 - 184
1	21	VAL	VAL	ASN	ASN	C	C	2 - 165	22 - 185
2	21	VAL	VAL	ASN	ASN	G	G	2 - 165	22 - 185
1	22	MET	MET	ASN	ASN	C	C	1 - 165	21 - 185
2	22	MET	MET	ASN	ASN	H	H	1 - 165	21 - 185
1	23	VAL	VAL	ASP	ASP	C	C	2 - 163	22 - 183
2	23	VAL	VAL	ASP	ASP	I	I	2 - 163	22 - 183
1	24	VAL	VAL	LYS	LYS	C	C	2 - 164	22 - 184
2	24	VAL	VAL	LYS	LYS	J	J	2 - 164	22 - 184
1	25	VAL	VAL	LYS	LYS	D	D	2 - 164	22 - 184
2	25	VAL	VAL	LYS	LYS	E	E	2 - 164	22 - 184
1	26	MET	MET	ASN	ASN	D	D	1 - 165	21 - 185
2	26	MET	MET	ASN	ASN	F	F	1 - 165	21 - 185
1	27	VAL	VAL	LYS	LYS	D	D	2 - 164	22 - 184
2	27	VAL	VAL	LYS	LYS	G	G	2 - 164	22 - 184
1	28	MET	MET	LYS	LYS	D	D	1 - 164	21 - 184
2	28	MET	MET	LYS	LYS	H	H	1 - 164	21 - 184
1	29	VAL	VAL	ASP	ASP	D	D	2 - 163	22 - 183
2	29	VAL	VAL	ASP	ASP	I	I	2 - 163	22 - 183
1	30	VAL	VAL	LYS	LYS	D	D	2 - 164	22 - 184
2	30	VAL	VAL	LYS	LYS	J	J	2 - 164	22 - 184
1	31	VAL	VAL	LYS	LYS	E	E	2 - 164	22 - 184
2	31	VAL	VAL	LYS	LYS	F	F	2 - 164	22 - 184
1	32	VAL	VAL	LYS	LYS	E	E	2 - 164	22 - 184
2	32	VAL	VAL	LYS	LYS	G	G	2 - 164	22 - 184
1	33	VAL	VAL	LYS	LYS	E	E	2 - 164	22 - 184
2	33	VAL	VAL	LYS	LYS	H	H	2 - 164	22 - 184
1	34	VAL	VAL	ASP	ASP	E	E	2 - 163	22 - 183
2	34	VAL	VAL	ASP	ASP	I	I	2 - 163	22 - 183
1	35	VAL	VAL	ASN	ASN	E	E	2 - 165	22 - 185
2	35	VAL	VAL	ASN	ASN	J	J	2 - 165	22 - 185
1	36	VAL	VAL	LYS	LYS	F	F	2 - 164	22 - 184
2	36	VAL	VAL	LYS	LYS	G	G	2 - 164	22 - 184
1	37	MET	MET	LYS	LYS	F	F	1 - 164	21 - 184
2	37	MET	MET	LYS	LYS	H	H	1 - 164	21 - 184
1	38	VAL	VAL	ASP	ASP	F	F	2 - 163	22 - 183
2	38	VAL	VAL	ASP	ASP	I	I	2 - 163	22 - 183
1	39	VAL	VAL	LYS	LYS	F	F	2 - 164	22 - 184
2	39	VAL	VAL	LYS	LYS	J	J	2 - 164	22 - 184
1	40	VAL	VAL	ASN	ASN	G	G	2 - 165	22 - 185
2	40	VAL	VAL	ASN	ASN	H	H	2 - 165	22 - 185
1	41	VAL	VAL	ASP	ASP	G	G	2 - 163	22 - 183
2	41	VAL	VAL	ASP	ASP	I	I	2 - 163	22 - 183
1	42	VAL	VAL	LYS	LYS	G	G	2 - 164	22 - 184
2	42	VAL	VAL	LYS	LYS	J	J	2 - 164	22 - 184
1	43	VAL	VAL	ASP	ASP	H	H	2 - 163	22 - 183
2	43	VAL	VAL	ASP	ASP	I	I	2 - 163	22 - 183
1	44	VAL	VAL	LYS	LYS	H	H	2 - 164	22 - 184
2	44	VAL	VAL	LYS	LYS	J	J	2 - 164	22 - 184
1	45	VAL	VAL	ASP	ASP	I	I	2 - 163	22 - 183
2	45	VAL	VAL	ASP	ASP	J	J	2 - 163	22 - 183

NCS ensembles :

#1: Protein	Peroxiredoxin TSA2 / Prx / Cytoplasmic thiol peroxidase 2 / cTPx 2 / Thiol-specific antioxidant protein 2 / Thioredoxin ...Prx / Cytoplasmic thiol peroxidase 2 / cTPx 2 / Thiol-specific antioxidant protein 2 / Thioredoxin peroxidase type Ib / TPx type Ib Mass: 23853.172 Da / Num. of mol.: 10 Mutation: C171S, peroxidatic C48 alkylated with iodoacetamide Source method: isolated from a genetically manipulated source Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast) Gene: TSA2, YDR453C, D9461.38 / Production host: Escherichia coli (E. coli) / References: UniProt: Q04120, peroxiredoxin
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 24 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.22 Å³/Da / Density % sol: 44.72 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 10 % w/v PEG 6000, 5 % v/v 2-Methyl-2,4-pentanediol, 0.1 M HEPES pH 7.5

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Data collection

Diffraction

Mean temperature: 110 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

LNLS

/ Beamline: W01B-MX2 / Wavelength: 1.4586 Å

Detector

Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Apr 30, 2016

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1.4586 Å / Relative weight: 1

Reflection twin

Crystal-ID	ID	Operator	Domain-ID	Fraction
1	1	H, K, L	1	0.733
1	1	-H, -K, H+L	2	0.267

Reflection

Resolution: 2.6→47.4 Å / Num. obs: 62339 / % possible obs: 97.9 % / Redundancy: 2.8 % / CC_1/2: 0.994 / R_merge(I) obs: 0.122 / R_rim(I) all: 0.149 / Net I/σ(I): 6.6

Reflection shell

Resolution: 2.61→2.76 Å / R_merge(I) obs: 1.751 / Num. unique obs: 9992 / CC_1/2: 0.236 / R_rim(I) all: 2.169

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Processing

Software

Name	Version	Classification
XDS		data scaling
REFMAC	5.8.0158	refinement
PDB_EXTRACT	3.25	data extraction
XDS		data reduction
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5DVB

5dvb

Resolution: 2.6→47.4 Å / Cor.coef. F_o:F_c: 0.946 / Cor.coef. F_o:F_c free: 0.93 / SU B: 15.275 / SU ML: 0.158 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.142 / ESU R Free: 0.06
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2294	3018	4.8 %	RANDOM
R_work	0.198	-	-	-
obs	0.1995	59320	97.73 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å

Displacement parameters

B_iso max: 137.84 Å² / B_iso mean: 74.058 Å² / B_iso min: 46.54 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-8.36 Å²	0 Å²	16.23 Å²
2-	-	-37.66 Å²	-0 Å²
3-	-	-	46.02 Å²

Refinement step

Cycle: final / Resolution: 2.6→47.4 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12803	0	0	24	12827
B_iso mean	-	-	-	66.96	-
Num. residues	-	-	-	-	1651

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.02	0.019	13072
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	12572
X-RAY DIFFRACTION	r_angle_refined_deg	2.264	1.975	17736
X-RAY DIFFRACTION	r_angle_other_deg	1.144	3	29100
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.907	5	1641
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	39	24.564	550
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	19.757	15	2177
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	22.645	15	60
X-RAY DIFFRACTION	r_chiral_restr	0.142	0.2	2025
X-RAY DIFFRACTION	r_gen_planes_refined	0.011	0.021	14520
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	2636

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-ID	Dom-ID	Auth asym-ID	Number	Rms dev position (Å)
1	1	A	9890	0.06
1	2	B	9890	0.06
2	1	A	10006	0.08
2	2	C	10006	0.08
3	1	A	10024	0.06
3	2	D	10024	0.06
4	1	A	9916	0.08
4	2	E	9916	0.08
5	1	A	9848	0.07
5	2	F	9848	0.07
6	1	A	10066	0.07
6	2	G	10066	0.07
7	1	A	10180	0.08
7	2	H	10180	0.08
8	1	A	9864	0.08
8	2	I	9864	0.08
9	1	A	9832	0.07
9	2	J	9832	0.07
10	1	B	9772	0.07
10	2	C	9772	0.07
11	1	B	10006	0.06
11	2	D	10006	0.06
12	1	B	9836	0.06
12	2	E	9836	0.06
13	1	B	9790	0.07
13	2	F	9790	0.07
14	1	B	9918	0.06
14	2	G	9918	0.06
15	1	B	9974	0.06
15	2	H	9974	0.06
16	1	B	9772	0.06
16	2	I	9772	0.06
17	1	B	9780	0.07
17	2	J	9780	0.07
18	1	C	9882	0.07
18	2	D	9882	0.07
19	1	C	9876	0.07
19	2	E	9876	0.07
20	1	C	9798	0.08
20	2	F	9798	0.08
21	1	C	9988	0.07
21	2	G	9988	0.07
22	1	C	10036	0.08
22	2	H	10036	0.08
23	1	C	9768	0.07
23	2	I	9768	0.07
24	1	C	9796	0.08
24	2	J	9796	0.08
25	1	D	9920	0.06
25	2	E	9920	0.06
26	1	D	9910	0.07
26	2	F	9910	0.07
27	1	D	9974	0.05
27	2	G	9974	0.05
28	1	D	10040	0.06
28	2	H	10040	0.06
29	1	D	9912	0.06
29	2	I	9912	0.06
30	1	D	9878	0.06
30	2	J	9878	0.06
31	1	E	9792	0.07
31	2	F	9792	0.07
32	1	E	9906	0.07
32	2	G	9906	0.07
33	1	E	9952	0.07
33	2	H	9952	0.07
34	1	E	9790	0.08
34	2	I	9790	0.08
35	1	E	9882	0.08
35	2	J	9882	0.08
36	1	F	9820	0.07
36	2	G	9820	0.07
37	1	F	9924	0.07
37	2	H	9924	0.07
38	1	F	9768	0.07
38	2	I	9768	0.07
39	1	F	9734	0.07
39	2	J	9734	0.07
40	1	G	10164	0.06
40	2	H	10164	0.06
41	1	G	9826	0.06
41	2	I	9826	0.06
42	1	G	9836	0.07
42	2	J	9836	0.07
43	1	H	9922	0.07
43	2	I	9922	0.07
44	1	H	9910	0.08
44	2	J	9910	0.08
45	1	I	9748	0.08
45	2	J	9748	0.08

LS refinement shell

Resolution: 2.602→2.67 Å / R_factor R_free error: 0 / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.378	192	-
R_work	0.313	4072	-
all	-	4264	-
obs	-	-	89.73 %

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	1.2201	0.4119	-0.0534	1.1554	0.1085	1.4938	-0.0899	0.0275	-0.0448	-0.0419	0.0396	-0.1235	-0.0982	0.1513	0.0503	0.0885	0.0133	0.0288	0.1801	-0.0111	0.03	26.515	30.2592	-61.5739
2	0.7447	-0.2058	0.2056	0.8034	-0.3727	2.4291	-0.0063	0.037	-0.0156	0.0076	-0.0338	0.015	-0.1328	0.1169	0.0401	0.1007	-0.0069	0.0357	0.1376	-0.0107	0.0182	18.9912	46.3283	-40.4672
3	1.0097	0.0369	0.3159	0.685	-0.1352	1.4738	-0.0048	-0.0515	-0.0394	0.0802	-0.0398	-0.1434	-0.0948	0.1216	0.0445	0.0729	-0.0164	0.0037	0.1591	0.0208	0.0402	25.1725	32.5301	-10.6438
4	0.9962	0.2237	-0.5527	1.3652	-0.1131	0.909	0.0196	-0.0593	0.0588	0.1328	-0.0688	-0.0653	-0.0936	0.0177	0.0492	0.0696	-0.0061	-0.005	0.1055	-0.0057	0.0231	2.4156	26.0265	2.8546
5	0.5359	0.6153	0.2539	1.5123	-0.0682	1.1143	0.0286	-0.1448	-0.125	0.1225	-0.0353	-0.1003	0.0424	-0.1293	0.0068	0.0581	-0.0094	0.0113	0.1186	0.0248	0.0443	-1.8038	-6.9504	6.4423
6	0.9989	0.1181	0.0032	0.3406	0.1439	1.4971	0.0547	-0.0804	0.0288	0.0997	-0.0319	0.0339	0.0874	-0.0697	-0.0227	0.1076	-0.0128	0.0127	0.1938	-0.0249	0.0322	-24.5491	-15.7829	-6.4132
7	0.2	0.3326	0.074	0.5606	0.084	1.1835	0.0266	0.0124	-0.0056	0.0314	-0.0101	-0.0045	0.1726	0.0031	-0.0165	0.1415	0.0367	0.0057	0.198	0.0019	0.0211	-18.8047	-32.6048	-34.7604
8	0.8905	0.2649	0.3146	1.0037	0.0013	1.881	-0.031	-0	0.0087	-0.0562	0.012	0.0274	0.0573	-0.0994	0.019	0.1103	0.0154	-0.015	0.1741	0.0181	0.0056	-27.1607	-18.8616	-56.9924
9	0.9391	0.4443	-0.6456	1.0003	0.2495	1.1838	-0.0597	0.1245	-0.0933	-0.1132	-0.0049	-0.0465	0.0515	0.0536	0.0646	0.1959	0.0028	-0.004	0.196	0.0235	0.0245	-2.1374	-9.2122	-76.4666
10	0.7173	0.4002	0.1439	1.295	-0.1865	1.5354	0.0037	0.1878	0.0705	-0.1533	0.0625	0.0464	0.0216	-0.0938	-0.0661	0.1456	0.0005	-0.0018	0.1741	0.0117	0.0132	0.4166	18.2124	-77.9616

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 165
2	X-RAY DIFFRACTION	2	B	1 - 165
3	X-RAY DIFFRACTION	3	C	1 - 166
4	X-RAY DIFFRACTION	4	D	1 - 165
5	X-RAY DIFFRACTION	5	E	2 - 165
6	X-RAY DIFFRACTION	6	F	2 - 165
7	X-RAY DIFFRACTION	7	G	2 - 165
8	X-RAY DIFFRACTION	8	H	2 - 166
9	X-RAY DIFFRACTION	9	I	2 - 164
10	X-RAY DIFFRACTION	10	J	2 - 165

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