PDB-3hhg: Structure of CrgA, a LysR-type transcriptional regulator from Nei...

ID or keywords:

Entry

Database: PDB / ID: 3hhg

Title

Structure of CrgA, a LysR-type transcriptional regulator from Neisseria meningitidis.

Components

Transcriptional regulator, LysR family

Keywords

TRANSCRIPTION REGULATOR / Neisseria meningitidis / transcription factor / LysR / Structural Genomics / Oxford Protein Production Facility / OPPF / DNA-binding / Transcription / Transcription regulation

Function / homology

Function and homology information

sequence-specific DNA binding / DNA-binding transcription factor activity / DNA-templated transcription
Similarity search - Function

Biological species

Neisseria meningitidis serogroup B (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.2 Å

Authors

Sainsbury, S. / Ren, J. / Owens, R.J. / Stuart, D.I. / Oxford Protein Production Facility (OPPF)

Citation

Journal: Nucleic Acids Res. / Year: 2009
Title: The structure of CrgA from Neisseria meningitidis reveals a new octameric assembly state for LysR transcriptional regulators
Authors: Sainsbury, S. / Lane, L.A. / Ren, J. / Gilbert, R.J. / Saunders, N.J. / Robinson, C.V. / Stuart, D.I. / Owens, R.J.

History

Deposition	May 15, 2009	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 7, 2009	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Refinement description / Version format compliance
Revision 1.2	Sep 6, 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 / struct_ref_seq_dif 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 / _struct_ref_seq_dif.details

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3hhg.cif.gz	447.5 KB	Display	PDBx/mmCIF format
PDB format	pdb3hhg.ent.gz	374.2 KB	Display	PDB format
PDBx/mmJSON format	3hhg.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/hh/3hhg ftp://data.pdbj.org/pub/pdb/validation_reports/hh/3hhg	HTTPS FTP

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Related structure data

Related structure data	3hhfSC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5txt-d 6e9z-d 4kfd-d 0356 1x9j-d 6v4l-d Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetDB: OPTIC231

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Transcriptional regulator, LysR family

B: Transcriptional regulator, LysR family

C: Transcriptional regulator, LysR family

D: Transcriptional regulator, LysR family

E: Transcriptional regulator, LysR family

F: Transcriptional regulator, LysR family

G: Transcriptional regulator, LysR family

H: Transcriptional regulator, LysR family

272 kDa, 8 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)	104.638, 119.091, 250.204
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Refine code: 5

Dom-ID	Component-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	1	LYS	LYS	LYS	LYS	A	A	2 - 44	2 - 44
2	1	1	LYS	LYS	LYS	LYS	D	D	2 - 44	2 - 44
3	1	1	LYS	LYS	LYS	LYS	B	B	2 - 44	2 - 44
4	1	1	LYS	LYS	LYS	LYS	E	E	2 - 44	2 - 44
5	1	1	LYS	LYS	LYS	LYS	G	G	2 - 44	2 - 44
6	1	1	LYS	LYS	LYS	LYS	H	H	2 - 44	2 - 44
7	1	1	LYS	LYS	LYS	LYS	C	C	2 - 44	2 - 44
8	1	1	LYS	LYS	LYS	LYS	F	F	2 - 44	2 - 44
1	1	2	GLN	GLN	ASP	ASP	A	A	92 - 150	92 - 150
2	1	2	GLN	GLN	ASP	ASP	B	B	92 - 150	92 - 150
3	1	2	GLN	GLN	ASP	ASP	C	C	92 - 150	92 - 150
4	1	2	GLN	GLN	ASP	ASP	D	D	92 - 150	92 - 150
5	1	2	GLN	GLN	ASP	ASP	E	E	92 - 150	92 - 150
6	1	2	GLN	GLN	ASP	ASP	F	F	92 - 150	92 - 150
7	1	2	GLN	GLN	ASP	ASP	G	G	92 - 150	92 - 150
8	1	2	GLN	GLN	ASP	ASP	H	H	92 - 150	92 - 150
1	2	2	PHE	PHE	GLU	GLU	A	A	268 - 292	268 - 292
2	2	2	PHE	PHE	GLU	GLU	B	B	268 - 292	268 - 292
3	2	2	PHE	PHE	GLU	GLU	C	C	268 - 292	268 - 292
4	2	2	PHE	PHE	GLU	GLU	D	D	268 - 292	268 - 292
5	2	2	PHE	PHE	GLU	GLU	E	E	268 - 292	268 - 292
6	2	2	PHE	PHE	GLU	GLU	F	F	268 - 292	268 - 292
7	2	2	PHE	PHE	GLU	GLU	G	G	268 - 292	268 - 292
8	2	2	PHE	PHE	GLU	GLU	H	H	268 - 292	268 - 292
1	1	3	ARG	ARG	GLY	GLY	A	A	163 - 192	163 - 192
2	1	3	ARG	ARG	GLY	GLY	B	B	163 - 192	163 - 192
3	1	3	ARG	ARG	GLY	GLY	C	C	163 - 192	163 - 192
4	1	3	ARG	ARG	GLY	GLY	D	D	163 - 192	163 - 192
5	1	3	ARG	ARG	GLY	GLY	E	E	163 - 192	163 - 192
6	1	3	ARG	ARG	GLY	GLY	F	F	163 - 192	163 - 192
7	1	3	ARG	ARG	GLY	GLY	G	G	163 - 192	163 - 192
8	1	3	ARG	ARG	GLY	GLY	H	H	163 - 192	163 - 192
1	2	3	ASN	ASN	PRO	PRO	A	A	200 - 267	200 - 267
2	2	3	ASN	ASN	PRO	PRO	B	B	200 - 267	200 - 267
3	2	3	ASN	ASN	PRO	PRO	C	C	200 - 267	200 - 267
4	2	3	ASN	ASN	PRO	PRO	D	D	200 - 267	200 - 267
5	2	3	ASN	ASN	PRO	PRO	E	E	200 - 267	200 - 267
6	2	3	ASN	ASN	PRO	PRO	F	F	200 - 267	200 - 267
7	2	3	ASN	ASN	PRO	PRO	G	G	200 - 267	200 - 267
8	2	3	ASN	ASN	PRO	PRO	H	H	200 - 267	200 - 267
1	1	4	GLN	GLN	ALA	ALA	A	A	65 - 86	65 - 86
2	1	4	GLN	GLN	ALA	ALA	B	B	65 - 86	65 - 86
3	1	4	GLN	GLN	ALA	ALA	C	C	65 - 86	65 - 86
4	1	4	GLN	GLN	ALA	ALA	D	D	65 - 86	65 - 86
5	1	4	GLN	GLN	ALA	ALA	E	E	65 - 86	65 - 86
6	1	4	GLN	GLN	ALA	ALA	F	F	65 - 86	65 - 86
7	1	4	GLN	GLN	ALA	ALA	G	G	65 - 86	65 - 86
8	1	4	GLN	GLN	ALA	ALA	H	H	65 - 86	65 - 86

NCS ensembles :

ID
1
2
3
4

#1: Protein	Transcriptional regulator, LysR family Mass: 34027.719 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Neisseria meningitidis serogroup B (bacteria) Strain: MC58 / Gene: CrgA, NMB1856 / Plasmid: OPPF3350 / Production host: Escherichia coli (E. coli) / Strain (production host): B834(DE3) / References: UniProt: Q9JXW7

#1: Protein

Transcriptional regulator, LysR family

Mass: 34027.719 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Neisseria meningitidis serogroup B (bacteria)
Strain: MC58 / Gene: CrgA, NMB1856 / Plasmid: OPPF3350 / Production host:

Escherichia coli (E. coli) / Strain (production host): B834(DE3) / References: UniProt: Q9JXW7

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.86 Å³/Da / Density % sol: 57.04 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5 Details: 10% v/v MPD, 0.1M sodium acetate pH5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-4 / Wavelength: 0.9765 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Dec 13, 2007
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9765 Å / Relative weight: 1
Reflection	Resolution: 3.2→30 Å / Num. obs: 43934 / % possible obs: 83.8 % / Observed criterion σ(I): -1 / Redundancy: 3.7 % / R_merge(I) obs: 0.061 / Net I/σ(I): 17.8
Reflection shell	Resolution: 3.2→3.31 Å / Redundancy: 2.7 % / R_merge(I) obs: 0.512 / Mean I/σ(I) obs: 1.66 / % possible all: 85.3

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Processing

Software

Name	Version	Classification
HKL-2000		data collection
MOLREP		phasing
REFMAC	5.5.0047	refinement
HKL-2000		data reduction
SCALEPACK		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3HHF

3hhf

Resolution: 3.2→29.88 Å / Cor.coef. F_o:F_c: 0.951 / Cor.coef. F_o:F_c free: 0.918 / SU B: 46.634 / SU ML: 0.34 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R Free: 0.656 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.28584	2165	5.1 %	RANDOM
R_work	0.21426	-	-	-
obs	0.21787	40596	86.45 %	-

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: 70.603 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-4.2 Å²	0 Å²	0 Å²
2-	-	0.26 Å²	0 Å²
3-	-	-	3.94 Å²

Refinement step

Cycle: LAST / Resolution: 3.2→29.88 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	18304	0	0	0	18304

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.006	0.022	18616
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	12631
X-RAY DIFFRACTION	r_angle_refined_deg	0.931	1.973	25203
X-RAY DIFFRACTION	r_angle_other_deg	0.789	3	30782
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.733	5	2346
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	30.273	23.817	854
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.07	15	3249
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	12.976	15	152
X-RAY DIFFRACTION	r_chiral_restr	0.051	0.2	2915
X-RAY DIFFRACTION	r_gen_planes_refined	0.003	0.021	20766
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	3738
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	2.379	4	11714
X-RAY DIFFRACTION	r_mcbond_other	0.579	4	4748
X-RAY DIFFRACTION	r_mcangle_it	4.321	6	18816
X-RAY DIFFRACTION	r_scbond_it	4.105	6	6902
X-RAY DIFFRACTION	r_scangle_it	6.88	10	6387
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

Ens-ID	Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	1	A	256	medium positional	0.31	5
1	1	B	256	medium positional	0.49	5
1	1	C	256	medium positional	0.3	5
1	1	D	256	medium positional	0.43	5
1	1	E	256	medium positional	0.35	5
1	1	F	256	medium positional	0.36	5
1	1	G	256	medium positional	0.3	5
1	1	H	256	medium positional	0.31	5
2	2	A	498	medium positional	0.33	5
2	2	B	498	medium positional	0.31	5
2	2	C	498	medium positional	0.42	5
2	2	D	498	medium positional	0.32	5
2	2	E	498	medium positional	0.3	5
2	2	F	498	medium positional	0.31	5
2	2	G	498	medium positional	0.48	5
2	2	H	498	medium positional	0.36	5
3	3	A	574	medium positional	0.28	5
3	3	B	574	medium positional	0.27	5
3	3	C	574	medium positional	0.31	5
3	3	D	574	medium positional	0.29	5
3	3	E	574	medium positional	0.28	5
3	3	F	574	medium positional	0.29	5
3	3	G	574	medium positional	0.39	5
3	3	H	574	medium positional	0.37	5
4	4	A	132	medium positional	0.3	5
4	4	B	132	medium positional	0.24	5
4	4	C	132	medium positional	0.28	5
4	4	D	132	medium positional	0.35	5
4	4	E	132	medium positional	0.38	5
4	4	F	132	medium positional	0.26	5
4	4	G	132	medium positional	0.3	5
4	4	H	132	medium positional	0.3	5
1	1	A	304	loose positional	1.17	10
1	1	B	304	loose positional	1.23	10
1	1	C	304	loose positional	0.89	10
1	1	D	304	loose positional	1.25	10
1	1	E	304	loose positional	1.27	10
1	1	F	304	loose positional	1.5	10
1	1	G	304	loose positional	0.78	10
1	1	H	304	loose positional	1.12	10
2	2	A	639	loose positional	0.99	10
2	2	B	639	loose positional	0.93	10
2	2	C	639	loose positional	1.04	10
2	2	D	639	loose positional	1.14	10
2	2	E	639	loose positional	1.02	10
2	2	F	639	loose positional	0.93	10
2	2	G	639	loose positional	1.55	10
2	2	H	639	loose positional	1.12	10
3	3	A	668	loose positional	0.88	10
3	3	B	668	loose positional	0.9	10
3	3	C	668	loose positional	1	10
3	3	D	668	loose positional	0.95	10
3	3	E	668	loose positional	0.95	10
3	3	F	668	loose positional	0.89	10
3	3	G	668	loose positional	1.3	10
3	3	H	668	loose positional	1.21	10
4	4	A	182	loose positional	1.25	10
4	4	B	182	loose positional	1.06	10
4	4	C	182	loose positional	1.44	10
4	4	D	182	loose positional	1.76	10
4	4	E	182	loose positional	1.06	10
4	4	F	182	loose positional	1.16	10
4	4	G	182	loose positional	1.58	10
4	4	H	182	loose positional	1.62	10
1	1	A	256	medium thermal	2.42	15
1	1	B	256	medium thermal	2.99	15
1	1	C	256	medium thermal	3.43	15
1	1	D	256	medium thermal	4.08	15
1	1	E	256	medium thermal	3.2	15
1	1	F	256	medium thermal	2.21	15
1	1	G	256	medium thermal	2.71	15
1	1	H	256	medium thermal	2.66	15
2	2	A	498	medium thermal	5.47	15
2	2	B	498	medium thermal	4.68	15
2	2	C	498	medium thermal	4.8	15
2	2	D	498	medium thermal	3.29	15
2	2	E	498	medium thermal	3.57	15
2	2	F	498	medium thermal	3.21	15
2	2	G	498	medium thermal	4.13	15
2	2	H	498	medium thermal	4.25	15
3	3	A	574	medium thermal	5.14	15
3	3	B	574	medium thermal	5.95	15
3	3	C	574	medium thermal	4.24	15
3	3	D	574	medium thermal	4.31	15
3	3	E	574	medium thermal	5.21	15
3	3	F	574	medium thermal	3.37	15
3	3	G	574	medium thermal	4.24	15
3	3	H	574	medium thermal	4.72	15
4	4	A	132	medium thermal	4.98	15
4	4	B	132	medium thermal	7.09	15
4	4	C	132	medium thermal	2.39	15
4	4	D	132	medium thermal	4.57	15
4	4	E	132	medium thermal	3.44	15
4	4	F	132	medium thermal	3.49	15
4	4	G	132	medium thermal	5.15	15
4	4	H	132	medium thermal	4.3	15
1	1	A	304	loose thermal	3.12	20
1	1	B	304	loose thermal	3.2	20
1	1	C	304	loose thermal	3.84	20
1	1	D	304	loose thermal	3.72	20
1	1	E	304	loose thermal	3.82	20
1	1	F	304	loose thermal	2.3	20
1	1	G	304	loose thermal	2.95	20
1	1	H	304	loose thermal	3.95	20
2	2	A	639	loose thermal	5.61	20
2	2	B	639	loose thermal	4.53	20
2	2	C	639	loose thermal	5.09	20
2	2	D	639	loose thermal	4.04	20
2	2	E	639	loose thermal	3.91	20
2	2	F	639	loose thermal	4.09	20
2	2	G	639	loose thermal	3.93	20
2	2	H	639	loose thermal	3.87	20
3	3	A	668	loose thermal	5.1	20
3	3	B	668	loose thermal	5.54	20
3	3	C	668	loose thermal	4.69	20
3	3	D	668	loose thermal	4.53	20
3	3	E	668	loose thermal	5.1	20
3	3	F	668	loose thermal	3.59	20
3	3	G	668	loose thermal	4.08	20
3	3	H	668	loose thermal	4.17	20
4	4	A	182	loose thermal	4.39	20
4	4	B	182	loose thermal	6.61	20
4	4	C	182	loose thermal	4.11	20
4	4	D	182	loose thermal	4.57	20
4	4	E	182	loose thermal	3.51	20
4	4	F	182	loose thermal	3.55	20
4	4	G	182	loose thermal	4.11	20
4	4	H	182	loose thermal	3.8	20

LS refinement shell

Resolution: 3.2→3.282 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.395	168	-
R_work	0.342	2969	-
obs	-	-	83.01 %

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	6.7462	-0.8869	-4.2726	9.061	0.4262	4.4645	0.8469	-1.1248	1.7766	1.0913	-0.315	-0.3463	-0.523	1.26	-0.5319	0.5919	-0.3729	-0.2064	0.4749	0.1137	1.1937	35.71	106.926	181.279
2	8.5027	4.4065	1.6262	9.8651	0.6814	3.0987	-0.2733	0.2786	-0.8149	0.8179	0.2086	0.2457	-0.0411	-0.3855	0.0647	0.1431	-0.0282	0.0968	0.1185	-0.0283	0.1786	17.564	9.242	173.781
3	8.7431	-1.5978	1.0158	10.0228	-8.6614	7.922	-0.0103	0.186	-1.1606	-0.7937	-0.2187	-0.4768	0.9868	0.2624	0.229	0.3124	0.0544	-0.0271	0.0307	-0.0907	0.4908	40.364	12.62	101.905
4	9.0789	2.2406	2.7826	7.6305	0.8001	5.301	-0.0617	0.1634	0.8342	-0.601	-0.0953	0.4025	-0.7199	-0.156	0.157	0.157	0.0416	-0.0112	0.015	0.0185	0.1346	16.884	106.861	102.418
5	7.0907	-0.9854	1.2611	7.7623	-2.6162	9.6034	0.1188	1.562	0.6206	0.0689	0.6308	-0.4589	-0.9853	0.9513	-0.7496	0.1161	-0.0685	0.1382	0.5495	0.0302	0.4334	45.045	102.23	90.889
6	3.2189	-3.2539	3.734	4.462	-1.62	9.384	0.5841	0.7885	-0.6151	-0.5937	-0.6737	1.1884	0.741	0.4427	0.0896	0.2624	-0.0749	-0.0376	0.8399	-0.0427	0.4995	12.132	20.122	91.059
7	9.5074	1.9626	-0.5937	5.1233	-0.0467	5.2987	0.0755	-0.5779	-0.11	0.3959	-0.017	-0.3369	0.1551	0.4161	-0.0585	0.1616	0.0001	-0.1193	0.0958	0.0075	0.0892	43.727	19.405	186.407
8	8.6716	2.8942	1.1111	9.517	-4.5029	5.9443	0.0357	-1.166	-0.32	1.8214	0.0646	1.0942	0.0121	-0.5609	-0.1003	0.7479	0.0108	0.4446	0.2851	0.1547	0.3753	9.222	90.941	183.645
9	20.7389	-1.0516	5.7749	1.1966	0.9848	3.3153	-0.0177	0.7294	0.2547	0.2138	-0.0996	-0.0579	0.2429	0.1261	0.1173	0.1675	-0.0154	-0.0345	0.0657	0.0459	0.0812	23.976	98.18	170.665
10	30.494	-0.9668	-4.3259	0.392	-0.1372	3.3929	-0.0134	0.1863	0.4578	0.0665	0.0524	-0.1274	-0.1918	-0.0668	-0.039	0.2025	-0.0033	-0.0554	0.0163	-0.0132	0.0853	31.659	19.924	169.662
11	26.5417	0.3111	-5.1916	0.8173	-1.1667	2.5595	0.0816	-0.214	1.0108	0.0315	-0.0427	-0.0691	-0.0499	0.1322	-0.039	0.1066	0.0144	0.0018	0.0814	0.0094	0.1135	25.497	22.483	105.634
12	25.2091	0.5511	6.1316	0.4587	0.3845	1.8692	0.4106	0.0254	-1.1827	0.1752	-0.1238	-0.016	0.2132	0.0542	-0.2868	0.0703	-0.036	-0.0144	0.0938	-0.014	0.1132	31.734	96.928	105.888
13	26.2172	3.9908	5.7236	1.3941	0.8137	1.6074	0.2724	-0.0402	-0.3284	-0.1069	-0.2078	-0.0763	0.155	-0.0736	-0.0647	0.068	0.0521	0.03	0.1581	0.0327	0.0833	30.148	92.398	96.428
14	36.3952	4.1511	-10.4267	1.6619	-1.2622	4.4454	0.0845	0.5517	0.738	-0.3152	0.1538	0.1974	0.058	-0.1866	-0.2383	0.1343	-0.0025	-0.0418	0.0893	0.0528	0.1082	27.109	27.584	96.714
15	15.4231	-2.5139	-1.0013	1.668	1.4646	1.4304	0.059	0.4736	0.3348	-0.1144	-0.002	-0.0743	-0.1717	0.0262	-0.057	0.3158	-0.0088	-0.0437	0.1417	0.0516	0.0959	29.062	25.699	177.942
16	18.6941	-4.0432	5.5983	2.1241	-0.7074	1.8981	0.0548	0.6008	-0.5931	-0.0419	0.1088	0.0956	0.0071	0.3344	-0.1636	0.2259	-0.0057	-0.0302	0.2541	0.043	0.1041	26.302	89.687	176.305
17	6.0297	-2.2672	-2.3582	4.8156	-0.1772	2.0338	-0.2356	-0.3518	-0.2294	0.3016	0.1438	-0.2899	0.0872	0.3024	0.0918	0.0279	0.0307	-0.0458	0.1106	-0.0719	0.2725	32.849	97.486	148.612
18	5.1343	-1.4594	1.7967	4.6266	0.1195	1.4508	-0.1736	-0.5371	-0.054	0.2516	0.2717	0.1516	-0.2063	-0.2951	-0.0981	0.0606	0.0412	0.0415	0.2823	0.1713	0.2851	24.345	21.011	148.203
19	7.9156	1.224	4.04	1.4576	1.0182	2.9047	0.0593	0.0605	-0.4454	-0.2003	0.1435	0.0271	-0.1429	0.1674	-0.2028	0.0543	-0.0224	0.0155	0.0789	0.1374	0.3658	34.689	20.58	127.975
20	7.0923	0.577	-2.6525	2.8399	-1.3058	1.9189	-0.1195	0.2102	0.1849	-0.3082	0.1337	-0.1134	0.1183	-0.1186	-0.0141	0.0401	-0.0047	-0.0152	0.0665	-0.1181	0.2637	22.513	98.288	128.398
21	5.4092	-3.241	1.0295	4.6594	0.5288	1.1701	-0.0456	0.1654	0.346	0.1378	-0.1031	-0.1862	0.0167	-0.0499	0.1487	0.0164	-0.0421	0.0057	0.2261	0.0471	0.3679	36.171	68.707	93.452
22	4.9333	-2.2659	-0.7383	3.923	-0.8524	1.3413	-0.1565	-0.2412	-0.3109	0.3073	0.08	0.4234	0.0617	0.0254	0.0765	0.0592	-0.0396	0.0447	0.1885	-0.0017	0.397	21.308	50.679	93.423
23	3.6863	0.3617	-0.4102	3.4989	0.0691	1.9827	-0.0636	0.1641	-0.2149	-0.2182	-0.236	-0.4403	0.3373	0.2866	0.2996	0.814	0.2752	-0.0346	0.7026	-0.013	0.9498	34.805	48.244	178.685
24	4.073	0.3265	0.7638	3.7741	0.3159	2.9472	-0.1565	0.333	-0.1011	-0.3355	-0.0812	0.5956	0.0301	-0.209	0.2377	0.6249	0.1638	-0.054	0.4733	0.0844	0.642	20.835	66.307	177.583

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	2 - 62
2	X-RAY DIFFRACTION	2	F	2 - 62
3	X-RAY DIFFRACTION	3	E	2 - 62
4	X-RAY DIFFRACTION	4	B	2 - 62
5	X-RAY DIFFRACTION	5	C	2 - 62
6	X-RAY DIFFRACTION	6	D	2 - 62
7	X-RAY DIFFRACTION	7	G	2 - 62
8	X-RAY DIFFRACTION	8	H	2 - 62
9	X-RAY DIFFRACTION	9	A	63 - 89
10	X-RAY DIFFRACTION	10	F	63 - 89
11	X-RAY DIFFRACTION	11	E	63 - 89
12	X-RAY DIFFRACTION	12	B	63 - 89
13	X-RAY DIFFRACTION	13	C	63 - 89
14	X-RAY DIFFRACTION	14	D	63 - 89
15	X-RAY DIFFRACTION	15	G	63 - 89
16	X-RAY DIFFRACTION	16	H	63 - 89
17	X-RAY DIFFRACTION	17	A	90 - 292
18	X-RAY DIFFRACTION	18	F	90 - 292
19	X-RAY DIFFRACTION	19	E	90 - 292
20	X-RAY DIFFRACTION	20	B	90 - 292
21	X-RAY DIFFRACTION	21	C	90 - 292
22	X-RAY DIFFRACTION	22	D	90 - 292
23	X-RAY DIFFRACTION	23	G	90 - 292
24	X-RAY DIFFRACTION	24	H	90 - 292

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