PDB-4w91: Crystal structure of a cysteine desulfurase SufS from Brucella su...

ID or keywords:

Entry

Database: PDB / ID: 4w91

Title

Crystal structure of a cysteine desulfurase SufS from Brucella suis bound to PLP

Components

Aminotransferase

Keywords

TRANSFERASE / structural genomics / National Institute for Allergy and Infectious Disease / NIAID / Seattle Structural Genomics Center for Infectious Disease (SSGCID) / pyridoxal-5-phosphate / PLP / LLP

Function / homology

Aspartate Aminotransferase, domain 1 / Aspartate Aminotransferase, domain 1 / Aspartate Aminotransferase; domain 2 / Type I PLP-dependent aspartate aminotransferase-like (Major domain) / Alpha-Beta Complex / 3-Layer(aba) Sandwich / Alpha Beta / Aminotransferase / Aminotransferase

Function and homology information

Biological species

Brucella suis bv. 4 str. 40 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON / Resolution: 2.45 Å

Authors

Seattle Structural Genomics Center for Infectious Disease / Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: To Be Published
Title: Crystal structure of a cysteine desulfurase SufS from Brucella suis bound to PLP
Authors: Seattle Structural Genomics Center for Infectious Disease

History

Deposition	Aug 26, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 8, 2014	Provider: repository / Type: Initial release
Revision 2.0	Dec 27, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Non-polymer description / Other / Refinement description / Source and taxonomy / Structure summary Category: audit_author / chem_comp ...audit_author / chem_comp / chem_comp_atom / chem_comp_bond / database_2 / entity / entity_src_gen / pdbx_database_status / pdbx_prerelease_seq / pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_struct_oper_list / refine_hist / struct_keywords / struct_ncs_dom_lim Item: _chem_comp.formula / _chem_comp.formula_weight ..._chem_comp.formula / _chem_comp.formula_weight / _chem_comp.name / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity.formula_weight / _entity_src_gen.pdbx_alt_source_flag / _pdbx_database_status.pdb_format_compatible / _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 / _refine_hist.number_atoms_solvent / _refine_hist.number_atoms_total / _refine_hist.pdbx_number_atoms_ligand / _refine_hist.pdbx_number_atoms_nucleic_acid / _refine_hist.pdbx_number_atoms_protein / _struct_keywords.text / _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	4w91_validation.pdf.gz	521 KB	Display	wwPDB validaton report
Full document	4w91_full_validation.pdf.gz	570 KB	Display
Data in XML	4w91_validation.xml.gz	133 KB	Display
Data in CIF	4w91_validation.cif.gz	181 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/w9/4w91 ftp://data.pdbj.org/pub/pdb/validation_reports/w9/4w91	HTTPS FTP

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Related structure data

Similar structure data	6mre-1 6o12-1 2ww0-3 1gc4-2 5upn-d 2wzs-3 6o10-1 2f7k-d 6tbg-2 2ifc-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) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search
Other databases	TargetTrack: SSGCID-BrsuA.01104.a

Similar structure data

Other databases

TargetTrack: SSGCID-BrsuA.01104.a

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Aminotransferase

B: Aminotransferase

C: Aminotransferase

D: Aminotransferase

E: Aminotransferase

F: Aminotransferase

G: Aminotransferase

H: Aminotransferase

I: Aminotransferase

J: Aminotransferase

hetero molecules

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

1

A: Aminotransferase

B: Aminotransferase

hetero molecules

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

2

C: Aminotransferase

D: Aminotransferase

hetero molecules

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

3

E: Aminotransferase

F: Aminotransferase

hetero molecules

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

4

G: Aminotransferase

H: Aminotransferase

hetero molecules

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

5

I: Aminotransferase

J: Aminotransferase

hetero molecules

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

Unit cell

Length a, b, c (Å)	89.850, 121.910, 133.720
Angle α, β, γ (deg.)	111.49, 106.53, 89.81
Int Tables number	1
Space group name H-M	P1

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: _ / Beg auth comp-ID: TYR / Beg label comp-ID: TYR / Refine code: _

Dom-ID	Ens-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	PHE	PHE	A	A	11 - 413	19 - 421
2	1	PHE	PHE	B	B	11 - 413	19 - 421
1	2	GLY	GLY	A	A	11 - 414	19 - 422
2	2	GLY	GLY	C	C	11 - 414	19 - 422
1	3	GLY	GLY	A	A	11 - 414	19 - 422
2	3	GLY	GLY	D	D	11 - 414	19 - 422
1	4	GLY	GLY	A	A	11 - 414	19 - 422
2	4	GLY	GLY	E	E	11 - 414	19 - 422
1	5	GLY	GLY	A	A	11 - 414	19 - 422
2	5	GLY	GLY	F	F	11 - 414	19 - 422
1	6	PHE	PHE	A	A	11 - 412	19 - 420
2	6	PHE	PHE	G	G	11 - 412	19 - 420
1	7	GLY	GLY	A	A	11 - 414	19 - 422
2	7	GLY	GLY	H	H	11 - 414	19 - 422
1	8	GLY	GLY	A	A	11 - 414	19 - 422
2	8	GLY	GLY	I	I	11 - 414	19 - 422
1	9	TYR	TYR	A	A	11 - 393	19 - 401
2	9	TYR	TYR	J	J	11 - 393	19 - 401
1	10	PHE	PHE	B	B	11 - 413	19 - 421
2	10	PHE	PHE	C	C	11 - 413	19 - 421
1	11	PHE	PHE	B	B	11 - 413	19 - 421
2	11	PHE	PHE	D	D	11 - 413	19 - 421
1	12	PHE	PHE	B	B	11 - 413	19 - 421
2	12	PHE	PHE	E	E	11 - 413	19 - 421
1	13	PHE	PHE	B	B	11 - 413	19 - 421
2	13	PHE	PHE	F	F	11 - 413	19 - 421
1	14	PHE	PHE	B	B	11 - 412	19 - 420
2	14	PHE	PHE	G	G	11 - 412	19 - 420
1	15	GLY	GLY	B	B	11 - 414	19 - 422
2	15	GLY	GLY	H	H	11 - 414	19 - 422
1	16	GLY	GLY	B	B	11 - 414	19 - 422
2	16	GLY	GLY	I	I	11 - 414	19 - 422
1	17	TYR	TYR	B	B	11 - 393	19 - 401
2	17	TYR	TYR	J	J	11 - 393	19 - 401
1	18	GLY	GLY	C	C	11 - 414	19 - 422
2	18	GLY	GLY	D	D	11 - 414	19 - 422
1	19	GLY	GLY	C	C	11 - 414	19 - 422
2	19	GLY	GLY	E	E	11 - 414	19 - 422
1	20	GLY	GLY	C	C	11 - 414	19 - 422
2	20	GLY	GLY	F	F	11 - 414	19 - 422
1	21	PHE	PHE	C	C	11 - 412	19 - 420
2	21	PHE	PHE	G	G	11 - 412	19 - 420
1	22	GLY	GLY	C	C	11 - 414	19 - 422
2	22	GLY	GLY	H	H	11 - 414	19 - 422
1	23	GLY	GLY	C	C	11 - 414	19 - 422
2	23	GLY	GLY	I	I	11 - 414	19 - 422
1	24	TYR	TYR	C	C	11 - 393	19 - 401
2	24	TYR	TYR	J	J	11 - 393	19 - 401
1	25	GLY	GLY	D	D	11 - 414	19 - 422
2	25	GLY	GLY	E	E	11 - 414	19 - 422
1	26	GLY	GLY	D	D	11 - 414	19 - 422
2	26	GLY	GLY	F	F	11 - 414	19 - 422
1	27	PHE	PHE	D	D	11 - 412	19 - 420
2	27	PHE	PHE	G	G	11 - 412	19 - 420
1	28	GLY	GLY	D	D	11 - 414	19 - 422
2	28	GLY	GLY	H	H	11 - 414	19 - 422
1	29	GLY	GLY	D	D	11 - 414	19 - 422
2	29	GLY	GLY	I	I	11 - 414	19 - 422
1	30	TYR	TYR	D	D	11 - 393	19 - 401
2	30	TYR	TYR	J	J	11 - 393	19 - 401
1	31	GLY	GLY	E	E	11 - 414	19 - 422
2	31	GLY	GLY	F	F	11 - 414	19 - 422
1	32	PHE	PHE	E	E	11 - 412	19 - 420
2	32	PHE	PHE	G	G	11 - 412	19 - 420
1	33	GLY	GLY	E	E	11 - 414	19 - 422
2	33	GLY	GLY	H	H	11 - 414	19 - 422
1	34	GLY	GLY	E	E	11 - 414	19 - 422
2	34	GLY	GLY	I	I	11 - 414	19 - 422
1	35	TYR	TYR	E	E	11 - 393	19 - 401
2	35	TYR	TYR	J	J	11 - 393	19 - 401
1	36	PHE	PHE	F	F	11 - 412	19 - 420
2	36	PHE	PHE	G	G	11 - 412	19 - 420
1	37	GLY	GLY	F	F	11 - 414	19 - 422
2	37	GLY	GLY	H	H	11 - 414	19 - 422
1	38	GLY	GLY	F	F	11 - 414	19 - 422
2	38	GLY	GLY	I	I	11 - 414	19 - 422
1	39	TYR	TYR	F	F	11 - 393	19 - 401
2	39	TYR	TYR	J	J	11 - 393	19 - 401
1	40	PHE	PHE	G	G	11 - 413	19 - 421
2	40	PHE	PHE	H	H	11 - 413	19 - 421
1	41	PHE	PHE	G	G	11 - 413	19 - 421
2	41	PHE	PHE	I	I	11 - 413	19 - 421
1	42	TYR	TYR	G	G	11 - 393	19 - 401
2	42	TYR	TYR	J	J	11 - 393	19 - 401
1	43	GLY	GLY	H	H	11 - 414	19 - 422
2	43	GLY	GLY	I	I	11 - 414	19 - 422
1	44	TYR	TYR	H	H	11 - 393	19 - 401
2	44	TYR	TYR	J	J	11 - 393	19 - 401
1	45	TYR	TYR	I	I	11 - 393	19 - 401
2	45	TYR	TYR	J	J	11 - 393	19 - 401

NCS ensembles :

#1: Protein	Aminotransferase Mass: 47072.312 Da / Num. of mol.: 10 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Brucella suis bv. 4 str. 40 (bacteria) / Gene: BAVG_0632 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: D0BBJ1, UniProt: A0A7U8IVA5*PLUS
#2: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Cl
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 354 / 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: 2.84 Å³/Da / Density % sol: 56.7 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 6.2 Details: BrsuA.01104.a.B1.PS01850 at 25.1 mg/mL against JCSG+ screen condition D3, 0.2 M NaCl, 0.1 M NaK Phosphate pH 6.2, 50% PEG 200, crystal tracking ID 246776d3, unique puck ID thi5-2

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Aug 8, 2013
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97872 Å / Relative weight: 1
Reflection	Resolution: 2.45→50 Å / Num. obs: 178399 / % possible obs: 96.3 % / Redundancy: 2.3 % / R_merge(I) obs: 0.07 / Net I/σ(I): 10.87
Reflection shell	Resolution: 2.45→2.5 Å / Redundancy: 2.3 % / R_merge(I) obs: 0.513 / Mean I/σ(I) obs: 2.04 / % possible all: 95.8

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Processing

Software

Name: REFMAC / Version: 5.8.0073 / Classification: refinement

Refinement

Resolution: 2.45→50 Å / Cor.coef. F_o:F_c: 0.922 / Cor.coef. F_o:F_c free: 0.911 / SU B: 24.705 / SU ML: 0.262 / Cross valid method: THROUGHOUT / ESU R: 0.477 / ESU R Free: 0.269 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.25215	8955	5 %	RANDOM
R_work	0.23733	-	-	-
obs	0.23807	169402	96.46 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 61.904 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-3.43 Å²	-0.46 Å²	0.8 Å²
2-	-	-4.69 Å²	0.95 Å²
3-	-	-	4.41 Å²

Refinement step

Cycle: 1 / Resolution: 2.45→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	29981	0	7	354	30342

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.01	0.019	30691
X-RAY DIFFRACTION	r_bond_other_d	0.006	0.02	28418
X-RAY DIFFRACTION	r_angle_refined_deg	1.328	1.943	41792
X-RAY DIFFRACTION	r_angle_other_deg	1.205	3	64763
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.051	5	3974
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	36.408	22.981	1352
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.868	15	4416
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.68	15	222
X-RAY DIFFRACTION	r_chiral_restr	0.075	0.2	4696
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.021	35668
X-RAY DIFFRACTION	r_gen_planes_other	0.006	0.02	7386
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0	0.2	15920
X-RAY DIFFRACTION	r_mcbond_other	0	0.2	15919
X-RAY DIFFRACTION	r_mcangle_it	0	0.3	19874
X-RAY DIFFRACTION	r_mcangle_other	0	0.3	19875
X-RAY DIFFRACTION	r_scbond_it	0	0.2	14771
X-RAY DIFFRACTION	r_scbond_other	0	0.2	14772
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	0	0.3	21915
X-RAY DIFFRACTION	r_long_range_B_refined	4.626	1.738	34240
X-RAY DIFFRACTION	r_long_range_B_other	4.622	1.704	34207
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

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	24820	0.05
1	2	B	24820	0.05
2	1	A	24724	0.05
2	2	C	24724	0.05
3	1	A	24933	0.06
3	2	D	24933	0.06
4	1	A	24664	0.05
4	2	E	24664	0.05
5	1	A	24556	0.06
5	2	F	24556	0.06
6	1	A	24034	0.06
6	2	G	24034	0.06
7	1	A	24171	0.05
7	2	H	24171	0.05
8	1	A	19755	0.06
8	2	I	19755	0.06
9	1	A	17566	0.05
9	2	J	17566	0.05
10	1	B	24827	0.06
10	2	C	24827	0.06
11	1	B	24901	0.05
11	2	D	24901	0.05
12	1	B	24487	0.05
12	2	E	24487	0.05
13	1	B	24377	0.07
13	2	F	24377	0.07
14	1	B	23968	0.06
14	2	G	23968	0.06
15	1	B	24054	0.06
15	2	H	24054	0.06
16	1	B	19681	0.06
16	2	I	19681	0.06
17	1	B	17507	0.06
17	2	J	17507	0.06
18	1	C	24794	0.06
18	2	D	24794	0.06
19	1	C	24315	0.06
19	2	E	24315	0.06
20	1	C	24383	0.07
20	2	F	24383	0.07
21	1	C	24091	0.06
21	2	G	24091	0.06
22	1	C	24056	0.06
22	2	H	24056	0.06
23	1	C	19599	0.06
23	2	I	19599	0.06
24	1	C	17475	0.06
24	2	J	17475	0.06
25	1	D	24516	0.05
25	2	E	24516	0.05
26	1	D	24527	0.06
26	2	F	24527	0.06
27	1	D	24171	0.06
27	2	G	24171	0.06
28	1	D	24176	0.05
28	2	H	24176	0.05
29	1	D	19736	0.06
29	2	I	19736	0.06
30	1	D	17495	0.06
30	2	J	17495	0.06
31	1	E	24329	0.06
31	2	F	24329	0.06
32	1	E	23764	0.06
32	2	G	23764	0.06
33	1	E	23735	0.05
33	2	H	23735	0.05
34	1	E	19737	0.05
34	2	I	19737	0.05
35	1	E	17444	0.06
35	2	J	17444	0.06
36	1	F	23839	0.07
36	2	G	23839	0.07
37	1	F	23727	0.07
37	2	H	23727	0.07
38	1	F	19615	0.06
38	2	I	19615	0.06
39	1	F	17465	0.06
39	2	J	17465	0.06
40	1	G	23390	0.06
40	2	H	23390	0.06
41	1	G	19323	0.06
41	2	I	19323	0.06
42	1	G	17269	0.06
42	2	J	17269	0.06
43	1	H	19587	0.06
43	2	I	19587	0.06
44	1	H	17243	0.06
44	2	J	17243	0.06
45	1	I	15335	0.05
45	2	J	15335	0.05

LS refinement shell

Resolution: 2.45→2.513 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.327	657	-
R_work	0.323	12432	-
obs	-	-	95.57 %

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	1.512	-0.3385	-0.1509	0.9956	-0.4859	1.5009	0.2062	-0.0993	0.0946	0.0401	0.0881	0.2805	-0.2011	-0.3075	-0.2942	0.7588	0.0024	0.0393	0.6958	0.0639	0.1168	15.4603	-6.671	-35.5108
2	1.6061	-0.0975	0.0913	1.7106	-0.2336	1.2896	0.2048	0.0217	-0.0617	-0.1146	-0.1034	-0.1356	0.0757	0.2826	-0.1013	0.7378	0.0123	-0.0199	0.689	0.026	0.0277	43.4495	-18.0245	-42.3512
3	0.6035	0.0577	0.1121	1.4499	0.0672	0.8989	-0.0039	0.1334	-0.0788	0.026	0.0397	-0.0789	0.3355	-0.178	-0.0358	0.8896	-0.117	-0.0414	0.7818	0.05	0.0219	69.4426	-79.3137	-15.7834
4	0.7709	-0.1199	-0.0455	1.4301	-0.0805	1.1142	-0.008	0.0915	0.1334	0.1184	0.0336	-0.0509	-0.0662	-0.2041	-0.0256	0.7344	-0.0258	-0.0449	0.7418	0.1137	0.039	68.9692	-48.4232	-12.396
5	0.9878	-0.031	-0.0475	1.2321	0.0679	1.656	0.0654	-0.0792	-0.0743	-0.0297	0.1451	-0.1672	0.2668	0.2538	-0.2105	0.8135	0.065	-0.0939	0.682	0.021	0.0662	41.1633	-19.8365	-83.9012
6	1.0554	-0.1611	-0.4208	1.4469	-0.0915	1.8702	0.1548	0.0501	0.2141	-0.1004	0.176	0.0775	-0.3676	-0.2762	-0.3308	0.8447	0.0667	-0.0008	0.6956	0.1297	0.0994	23.4363	4.4587	-90.325
7	1.6632	0.411	-0.0446	1.9256	-0.2828	0.8231	0.1949	-0.0265	-0.0767	0.5316	-0.1174	0.4279	-0.3036	-0.0579	-0.0775	1.1118	-0.0974	0.1978	0.749	-0.0636	0.166	18.0811	0.0284	4.6417
8	2.2072	0.7613	-0.3907	1.2189	0.0226	0.7201	0.3318	-0.2917	-0.1786	0.5148	-0.2933	-0.2011	-0.2046	0.2293	-0.0385	1.2237	-0.2376	-0.0808	0.8781	0.0439	0.0746	47.9332	7.1769	8.1396
9	0.5153	0.5342	0.2426	3.4669	1.3556	1.5764	-0.2269	0.274	-0.0769	-1.1614	0.2804	-0.2925	-0.4399	0.3798	-0.0535	1.4715	-0.0925	0.1305	1.2098	0.0391	0.2642	80.8025	-56.8222	-66.2424
10	1.5704	-0.0927	0.2402	2.8935	0.1628	1.3314	-0.0799	-0.0366	-0.3038	-0.2875	0.0367	0.0892	0.3239	-0.02	0.0432	1.3219	0.0526	0.0484	1.0953	-0.0009	0.3106	69.0406	-80.1696	-55.6433

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	11 - 414
2	X-RAY DIFFRACTION	2	B	10 - 414
3	X-RAY DIFFRACTION	3	C	11 - 414
4	X-RAY DIFFRACTION	4	D	11 - 414
5	X-RAY DIFFRACTION	5	E	11 - 414
6	X-RAY DIFFRACTION	6	F	11 - 414
7	X-RAY DIFFRACTION	7	G	11 - 413
8	X-RAY DIFFRACTION	8	H	11 - 414
9	X-RAY DIFFRACTION	9	I	11 - 414
10	X-RAY DIFFRACTION	10	J	11 - 393

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