PDB-2o3o: Crystal Structure of the sensor histidine kinase regulator YycI f...

ID or keywords:

Entry

Database: PDB / ID: 2o3o

Title

Crystal Structure of the sensor histidine kinase regulator YycI from Bacillus subtitlis

Components

YycI protein

Keywords

SIGNALING PROTEIN / two-component system

Function / homology

Function and homology information

membrane => GO:0016020 / plasma membrane
Similarity search - Function

Biological species

Bacillus subtilis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MAD / Resolution: 2.89 Å

Authors

Santelli, E. / Liddington, R.C.

Citation

Journal: J.Bacteriol. / Year: 2007
Title: The Crystal Structure of Bacillus subtilis YycI Reveals a Common Fold for Two Members of an Unusual Class of Sensor Histidine Kinase Regulatory Proteins.
Authors: Santelli, E. / Liddington, R.C. / Mohan, M.A. / Hoch, J.A. / Szurmant, H.

History

Deposition	Dec 1, 2006	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 10, 2007	Provider: repository / Type: Initial release
Revision 1.1	May 1, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Refinement description / Version format compliance
Revision 1.3	Dec 27, 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 / struct_conn / struct_ncs_dom_lim / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	2o3o_validation.pdf.gz	484.4 KB	Display	wwPDB validaton report
Full document	2o3o_full_validation.pdf.gz	530.9 KB	Display
Data in XML	2o3o_validation.xml.gz	56.9 KB	Display
Data in CIF	2o3o_validation.cif.gz	84.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/o3/2o3o ftp://data.pdbj.org/pub/pdb/validation_reports/o3/2o3o	HTTPS FTP

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Related structure data

Similar structure data	5vl9-1 5vl9-2 2dwz-d 3qzo-d 4g1i-d 6o6p-d 4jio-2 4jio-1 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

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#190 - Oct 2015 Two-component Systems similarity (1)

Deposited unit

A: YycI protein

B: YycI protein

C: YycI protein

D: YycI protein

E: YycI protein

F: YycI protein

G: YycI protein

H: YycI protein

I: YycI protein

J: YycI protein

K: YycI protein

L: YycI protein

hetero molecules

356 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: YycI protein

C: YycI protein

hetero molecules

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

2

B: YycI protein

D: YycI protein

hetero molecules

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

3

E: YycI protein

G: YycI protein

hetero molecules

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

4

F: YycI protein

H: YycI protein

hetero molecules

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

5

I: YycI protein

K: YycI protein

hetero molecules

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

6

J: YycI protein

L: YycI protein

hetero molecules

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

Unit cell

Length a, b, c (Å)	60.792, 161.922, 180.156
Angle α, β, γ (deg.)	90.00, 90.90, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Refine code	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	1	GLU	GLU	MSE	MSE	4	A	A	55 - 91	29 - 65
2	1	1	GLU	GLU	MSE	MSE	4	E	E	55 - 91	29 - 65
3	1	1	GLU	GLU	MSE	MSE	4	I	I	55 - 91	29 - 65
4	2	1	VAL	VAL	GLU	GLU	4	A	A	98 - 250	72 - 224
5	2	1	VAL	VAL	GLU	GLU	4	E	E	98 - 250	72 - 224
6	2	1	VAL	VAL	GLU	GLU	4	I	I	98 - 250	72 - 224
7	3	1	THR	THR	SER	SER	4	A	A	261 - 273	235 - 247
8	3	1	THR	THR	SER	SER	4	E	E	261 - 273	235 - 247
9	3	1	THR	THR	SER	SER	4	I	I	261 - 273	235 - 247
1	1	2	GLU	GLU	MSE	MSE	4	B	B	55 - 91	29 - 65
2	1	2	GLU	GLU	MSE	MSE	4	F	F	55 - 91	29 - 65
3	1	2	GLU	GLU	MSE	MSE	4	J	J	55 - 91	29 - 65
4	2	2	VAL	VAL	GLU	GLU	4	B	B	98 - 250	72 - 224
5	2	2	VAL	VAL	GLU	GLU	4	F	F	98 - 250	72 - 224
6	2	2	VAL	VAL	GLU	GLU	4	J	J	98 - 250	72 - 224
7	3	2	THR	THR	SER	SER	4	B	B	261 - 273	235 - 247
8	3	2	THR	THR	SER	SER	4	F	F	261 - 273	235 - 247
9	3	2	THR	THR	SER	SER	4	J	J	261 - 273	235 - 247
1	1	3	GLU	GLU	MSE	MSE	4	C	C	55 - 91	29 - 65
2	1	3	GLU	GLU	MSE	MSE	4	G	G	55 - 91	29 - 65
3	1	3	GLU	GLU	MSE	MSE	4	K	K	55 - 91	29 - 65
4	2	3	VAL	VAL	GLU	GLU	4	C	C	98 - 250	72 - 224
5	2	3	VAL	VAL	GLU	GLU	4	G	G	98 - 250	72 - 224
6	2	3	VAL	VAL	GLU	GLU	4	K	K	98 - 250	72 - 224
7	3	3	THR	THR	SER	SER	4	C	C	261 - 273	235 - 247
8	3	3	THR	THR	SER	SER	4	G	G	261 - 273	235 - 247
9	3	3	THR	THR	SER	SER	4	K	K	261 - 273	235 - 247
1	1	4	GLU	GLU	MSE	MSE	4	D	D	55 - 91	29 - 65
2	1	4	GLU	GLU	MSE	MSE	4	H	H	55 - 91	29 - 65
3	1	4	GLU	GLU	MSE	MSE	4	L	L	55 - 91	29 - 65
4	2	4	VAL	VAL	GLU	GLU	4	D	D	98 - 250	72 - 224
5	2	4	VAL	VAL	GLU	GLU	4	H	H	98 - 250	72 - 224
6	2	4	VAL	VAL	GLU	GLU	4	L	L	98 - 250	72 - 224
7	3	4	THR	THR	SER	SER	4	D	D	261 - 273	235 - 247
8	3	4	THR	THR	SER	SER	4	H	H	261 - 273	235 - 247
9	3	4	THR	THR	SER	SER	4	L	L	261 - 273	235 - 247
1	1	5	LYS	LYS	MSE	MSE	6	A	A	34 - 91	8 - 65
2	1	5	LYS	LYS	MSE	MSE	6	B	B	34 - 91	8 - 65
3	1	5	LYS	LYS	MSE	MSE	6	C	C	34 - 91	8 - 65
4	1	5	LYS	LYS	MSE	MSE	6	D	D	34 - 91	8 - 65
5	2	5	VAL	VAL	GLU	GLU	6	A	A	98 - 250	72 - 224
6	2	5	VAL	VAL	GLU	GLU	6	B	B	98 - 250	72 - 224
7	2	5	VAL	VAL	GLU	GLU	6	C	C	98 - 250	72 - 224
8	2	5	VAL	VAL	GLU	GLU	6	D	D	98 - 250	72 - 224
9	3	5	THR	THR	SER	SER	6	A	A	261 - 273	235 - 247
10	3	5	THR	THR	SER	SER	6	B	B	261 - 273	235 - 247
11	3	5	THR	THR	SER	SER	6	C	C	261 - 273	235 - 247
12	3	5	THR	THR	SER	SER	6	D	D	261 - 273	235 - 247
1	1	6	LYS	LYS	TYR	TYR	4	A	A	34 - 54	8 - 28
2	1	6	LYS	LYS	TYR	TYR	4	E	E	34 - 54	8 - 28
3	1	6	LYS	LYS	TYR	TYR	4	I	I	34 - 54	8 - 28
1	1	7	LYS	LYS	TYR	TYR	4	B	B	34 - 54	8 - 28
2	1	7	LYS	LYS	TYR	TYR	4	F	F	34 - 54	8 - 28
3	1	7	LYS	LYS	TYR	TYR	4	J	J	34 - 54	8 - 28
1	1	8	LYS	LYS	TYR	TYR	4	C	C	34 - 54	8 - 28
2	1	8	LYS	LYS	TYR	TYR	4	G	G	34 - 54	8 - 28
3	1	8	LYS	LYS	TYR	TYR	4	K	K	34 - 54	8 - 28
1	1	9	LYS	LYS	TYR	TYR	4	D	D	34 - 54	8 - 28
2	1	9	LYS	LYS	TYR	TYR	4	H	H	34 - 54	8 - 28
3	1	9	LYS	LYS	TYR	TYR	4	L	L	34 - 54	8 - 28

NCS ensembles :

ID
1
2
3
4
5
6
7
8
9

Details

pairs of chains (A, C) (B, D) (E, G) (F, H) (I, K) (J, L) each define a dimeric assembly

#1: Protein	YycI protein Mass: 29636.318 Da / Num. of mol.: 12 / Fragment: Periplasmic domain Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus subtilis (bacteria) / Gene: yycI / Plasmid: pET28a / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q45612
#2: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Cl

#1: Protein

YycI protein

Mass: 29636.318 Da / Num. of mol.: 12 / Fragment: Periplasmic domain
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Bacillus subtilis (bacteria) / Gene: yycI / Plasmid: pET28a / Species (production host): Escherichia coli / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q45612

#2: Chemical

ChemComp-CL / CHLORIDE ION

Mass: 35.453 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Cl

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.5 Å³/Da / Density % sol: 50.72 %
Crystal grow	Temperature: 293 K / pH: 3.2 Details: 18% PEG1500, 100 MM CITRATE BUFFER, 200 mM lithium sulfate, pH 3.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 3.20

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

ALS

/ Beamline: 12.3.1 / Wavelength: 0.94645, 0.97969, 0.97955

Detector

Detector: CCD / Date: May 20, 2006

Radiation

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

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	0.94645	1
2	0.97969	1
3	0.97955	1

Reflection

Resolution: 2.89→90 Å / Num. obs: 71733 / % possible obs: 92.7 % / Observed criterion σ(I): -4 / Redundancy: 3.8 % / R_merge(I) obs: 0.084 / Net I/σ(I): 12.4

Reflection shell

Resolution: 2.89→2.97 Å / Redundancy: 2.1 % / R_merge(I) obs: 0.334 / Mean I/σ(I) obs: 1.4 / % possible all: 53.9

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
HKL-2000		data reduction
HKL-2000		data scaling
SHELXD		phasing
SHARP		phasing

Refinement

Method to determine structure:

MAD / Resolution: 2.89→90 Å / Cor.coef. F_o:F_c: 0.926 / Cor.coef. F_o:F_c free: 0.885 / SU B: 40.89 / SU ML: 0.352 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: isotropic / Cross valid method: THROUGHOUT / ESU R Free: 0.464
Stereochemistry target values: MAXIMUM LIKELIHOOD WITH PHASES
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.262	3605	5 %	RANDOM
R_work	0.212	-	-	-
obs	0.214	68065	92.2 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 25.71 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.35 Å²	0 Å²	0.23 Å²
2-	-	-1.22 Å²	0 Å²
3-	-	-	1.58 Å²

Refinement step

Cycle: LAST / Resolution: 2.89→90 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	23395	0	6	0	23401

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.01	0.022	23820
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	15971
X-RAY DIFFRACTION	r_angle_refined_deg	1.169	1.962	32140
X-RAY DIFFRACTION	r_angle_other_deg	0.764	3	39512
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.655	5	2848
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.071	26.545	1146
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	17.733	15	4614
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.812	15	24
X-RAY DIFFRACTION	r_chiral_restr	0.069	0.2	3598
X-RAY DIFFRACTION	r_gen_planes_refined	0.003	0.02	25880
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	4252
X-RAY DIFFRACTION	r_nbd_refined	0.206	0.2	4282
X-RAY DIFFRACTION	r_nbd_other	0.18	0.2	14972
X-RAY DIFFRACTION	r_nbtor_refined	0.184	0.2	11218
X-RAY DIFFRACTION	r_nbtor_other	0.085	0.2	13090
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.148	0.2	375
X-RAY DIFFRACTION	r_xyhbond_nbd_other	0.004	0.2	1
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.165	0.2	76
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.177	0.2	117
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.089	0.2	4
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	1.925	1	17374
X-RAY DIFFRACTION	r_mcbond_other	0.386	1	5743
X-RAY DIFFRACTION	r_mcangle_it	2.796	2	23314
X-RAY DIFFRACTION	r_scbond_it	4.636	2.5	10963
X-RAY DIFFRACTION	r_scangle_it	6.394	4	8826
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	2776	medium positional	0.28	0.5
1	2	E	2776	medium positional	0.25	0.5
1	3	I	2776	medium positional	0.28	0.5
2	1	B	2776	medium positional	0.28	0.5
2	2	F	2776	medium positional	0.3	0.5
2	3	J	2776	medium positional	0.36	0.5
3	1	C	2776	medium positional	0.54	0.5
3	2	G	2776	medium positional	0.37	0.5
3	3	K	2776	medium positional	0.53	0.5
4	1	D	2776	medium positional	0.39	0.5
4	2	H	2776	medium positional	0.34	0.5
4	3	L	2776	medium positional	0.53	0.5
6	1	A	286	medium positional	0.23	0.5
6	2	E	286	medium positional	0.26	0.5
6	3	I	286	medium positional	0.33	0.5
7	1	B	286	medium positional	0.35	0.5
7	2	F	286	medium positional	0.33	0.5
7	3	J	286	medium positional	0.53	0.5
8	1	C	286	medium positional	0.25	0.5
8	2	G	286	medium positional	0.29	0.5
8	3	K	286	medium positional	0.26	0.5
9	1	D	286	medium positional	0.24	0.5
9	2	H	286	medium positional	0.27	0.5
9	3	L	286	medium positional	0.26	0.5
5	1	A	3062	loose positional	0.5	5
5	2	B	3062	loose positional	0.55	5
5	3	C	3062	loose positional	0.81	5
5	4	D	3062	loose positional	0.65	5
1	1	A	2776	medium thermal	0.47	2
1	2	E	2776	medium thermal	0.44	2
1	3	I	2776	medium thermal	0.49	2
2	1	B	2776	medium thermal	0.46	2
2	2	F	2776	medium thermal	0.43	2
2	3	J	2776	medium thermal	0.45	2
3	1	C	2776	medium thermal	0.47	2
3	2	G	2776	medium thermal	0.44	2
3	3	K	2776	medium thermal	0.44	2
4	1	D	2776	medium thermal	0.47	2
4	2	H	2776	medium thermal	0.42	2
4	3	L	2776	medium thermal	0.45	2
6	1	A	286	medium thermal	0.52	2
6	2	E	286	medium thermal	0.51	2
6	3	I	286	medium thermal	0.62	2
7	1	B	286	medium thermal	0.51	2
7	2	F	286	medium thermal	0.46	2
7	3	J	286	medium thermal	0.55	2
8	1	C	286	medium thermal	0.4	2
8	2	G	286	medium thermal	0.34	2
8	3	K	286	medium thermal	0.36	2
9	1	D	286	medium thermal	0.36	2
9	2	H	286	medium thermal	0.45	2
9	3	L	286	medium thermal	0.41	2
5	1	A	3062	loose thermal	3.17	10
5	2	B	3062	loose thermal	3.14	10
5	3	C	3062	loose thermal	3.23	10
5	4	D	3062	loose thermal	3.02	10

LS refinement shell

Resolution: 2.89→2.97 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.385	129	-
R_work	0.327	2506	-
obs	-	-	46.6 %

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	6.2511	0.823	0.4367	1.7809	0.1385	1.712	-0.1205	0.4488	-0.9292	-0.0229	-0.0276	0.1471	0.1642	-0.086	0.148	-0.3182	0.0568	0.076	-0.4019	-0.1021	-0.194	25.2487	20.9211	154.855
2	6.5348	0.3629	-0.8622	1.6452	0.0016	1.7966	0.0021	0.4794	0.7124	-0.0297	-0.0134	-0.038	-0.2258	0.0723	0.0113	-0.2801	0.0294	-0.0149	-0.3865	0.0825	-0.3402	91.1169	46.5085	152.8989
3	2.3253	2.5846	-0.8	5.5158	-2.9142	4.2987	-0.0298	-0.1616	0.3431	0.9066	-0.0356	-0.0314	-0.3118	0.2718	0.0654	0.0487	0.099	-0.016	-0.4452	-0.0042	-0.3739	40.729	9.2039	187.2543
4	2.7147	1.8237	1.0514	4.5564	2.6745	4.5419	-0.0448	-0.1295	-0.3327	0.2545	0.0453	0.0654	0.1187	-0.2386	-0.0005	-0.2249	0.0956	0.0407	-0.4183	0.0143	-0.4095	75.5552	62.1317	183.431
5	7.886	1.484	0.6721	2.004	0.2585	2.0521	-0.1002	0.1995	-0.9389	-0.062	0.0198	-0.0047	0.2224	-0.0872	0.0804	-0.2767	0.0733	0.1063	-0.436	-0.064	-0.2218	27.1258	21.7885	92.9892
6	5.8608	1.3602	-0.4814	1.9372	0.2715	2.102	-0.1858	0.2182	0.8515	-0.0939	0.0865	0.2192	-0.3211	0.0803	0.0993	-0.242	0.0492	-0.0516	-0.4306	0.069	-0.2169	93.2284	47.3479	92.0666
7	2.0204	2.4353	-1.6747	4.6469	-3.1022	5.5805	0.036	-0.1236	0.4125	0.0888	0.1289	0.0835	0.2014	0.3411	-0.1649	-0.0624	0.1424	-0.0531	-0.2389	-0.0395	-0.2974	41.6143	7.5205	123.8412
8	2.8395	2.0272	0.8865	4.7678	2.3783	4.8707	0.0182	0.0192	-0.4436	0.3378	-0.0616	0.0668	-0.0741	-0.415	0.0434	-0.0642	0.0956	0.0967	-0.345	-0.0011	-0.2463	78.3204	60.361	124.1545
9	5.9417	1.1253	1.0666	1.9328	-0.1153	1.8017	-0.0234	0.2544	-0.497	-0.0917	-0.0041	-0.0962	0.3366	0.0365	0.0275	-0.2777	0.0379	0.0403	-0.4194	-0.0205	-0.4089	25.1996	22.4047	31.8043
10	6.1291	1.2207	-0.5669	1.7594	-0.2174	2.0692	-0.1074	0.2083	0.8177	-0.0146	0.0767	-0.064	-0.2561	0.068	0.0307	-0.2986	0.0311	-0.0584	-0.4456	0.0726	-0.2275
11	3.3959	1.9606	-0.7253	4.7188	-2.5423	4.7592	-0.1447	-0.0893	0.3481	0.4088	0.0538	0.0208	0.0648	0.3183	0.0909	0.0629	0.1652	0.0377	-0.3772	-0.0097	-0.4132	40.0875	8.2577	63.7913
12	2.3344	2.7404	1.2467	4.3955	3.2994	5.6583	0.2722	-0.0919	-0.1219	0.5393	-0.1068	-0.0338	-0.0033	-0.3855	-0.1655	-0.0329	0.0839	0.0318	-0.285	-0.0025	-0.1516	75.1245	60.502	66.1438

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	34 - 273
2	X-RAY DIFFRACTION	2	B	34 - 273
3	X-RAY DIFFRACTION	3	C	34 - 273
4	X-RAY DIFFRACTION	4	D	34 - 273
5	X-RAY DIFFRACTION	5	E	34 - 273
6	X-RAY DIFFRACTION	6	F	34 - 273
7	X-RAY DIFFRACTION	7	G	34 - 273
8	X-RAY DIFFRACTION	8	H	34 - 273
9	X-RAY DIFFRACTION	9	I	34 - 273
10	X-RAY DIFFRACTION	10	J	34 - 273
11	X-RAY DIFFRACTION	11	K	34 - 273
12	X-RAY DIFFRACTION	12	L	34 - 273

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