PDB-2jer: Agmatine deiminase of Enterococcus faecalis catalyzing its reaction.

ID or keywords:

Entry

Database: PDB / ID: 2jer

Title

Agmatine deiminase of Enterococcus faecalis catalyzing its reaction.

Components

AGMATINE DEIMINASE

Keywords

HYDROLASE /

AGMATINE DEIMINASE /

TETRAMER / AGDI / 5- FOLD PSEUDOSYMMETRIC STRUCTURE / AGMATINE DEGRADATION PATHWAY / COVALENT AMIDINO ADDUCT /

AGMATINE IMINOHYDROLASE

Function / homology

Function and homology information

agmatine deiminase /

agmatine deiminase activity / putrescine biosynthetic process /

protein-arginine deiminase activity
Similarity search - Function

Biological species

ENTEROCOCCUS FAECALIS (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.65 Å

Authors

Tavarez, S. / Llacer, J.L. / Rubio, V.

Citation

Journal: J.Bacteriol. / Year: 2007
Title: The Gene Cluster for Agmatine Catabolism of Enterococcus Faecalis: Study of Recombinant Putrescine Transcarbamylase and Agmatine Deiminase and a Snapshot of Agmatine Deiminase Catalyzing its Reaction.
Authors: Llacer, J.L. / Polo, L.M. / Tavarez, S. / Alarcon, B. / Hilario, R. / Rubio, V.

History

Deposition	Jan 19, 2007	Deposition site: PDBE / Processing site: PDBE
Supersession	Jan 30, 2007	ID: 2J2T
Revision 1.0	Jan 30, 2007	Provider: repository / Type: Initial release
Revision 1.1	May 8, 2011	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Version format compliance
Revision 1.3	Dec 13, 2023	Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_validate_polymer_linkage / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _struct_conn.pdbx_leaving_atom_flag

Remark 650

HELIX DETERMINATION METHOD: AUTHOR PROVIDED.

Remark 700

SHEET DETERMINATION METHOD: AUTHOR PROVIDED.

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2jer.cif.gz	1.1 MB	Display	PDBx/mmCIF format
PDB format	pdb2jer.ent.gz	941.8 KB	Display	PDB format
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Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/je/2jer ftp://data.pdbj.org/pub/pdb/validation_reports/je/2jer	HTTPS FTP

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Related structure data

Related structure data	2ewoS S: Starting model for refinement
Similar structure data	2ewo-3 2ewo-2 2ewo-1 5hz2-1 2vig-2 3d9d-d 2c12-2 3mpi-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) 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

Deposited unit

A: AGMATINE DEIMINASE

B: AGMATINE DEIMINASE

C: AGMATINE DEIMINASE

D: AGMATINE DEIMINASE

E: AGMATINE DEIMINASE

F: AGMATINE DEIMINASE

G: AGMATINE DEIMINASE

H: AGMATINE DEIMINASE

352 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: AGMATINE DEIMINASE

B: AGMATINE DEIMINASE

E: AGMATINE DEIMINASE

F: AGMATINE DEIMINASE

defined by author&software
176 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: AGMATINE DEIMINASE

D: AGMATINE DEIMINASE

G: AGMATINE DEIMINASE

H: AGMATINE DEIMINASE

defined by author&software
176 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	107.727, 130.165, 126.726
Angle α, β, γ (deg.)	90.00, 93.61, 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	Refine code	Auth asym-ID	Auth seq-ID
1	1	1	6	A	1 - 11
2	1	1	6	B	1 - 11
3	1	1	6	C	1 - 11
4	1	1	6	D	1 - 11
5	1	1	6	E	1 - 11
6	1	1	6	F	1 - 11
7	1	1	6	G	1 - 11
8	1	1	6	H	1 - 11
1	2	1	2	A	12 - 26
2	2	1	2	B	12 - 26
3	2	1	2	C	12 - 26
4	2	1	2	D	12 - 26
5	2	1	2	E	12 - 26
6	2	1	2	F	12 - 26
7	2	1	2	G	12 - 26
8	2	1	2	H	12 - 26
1	3	1	1	A	27 - 53
2	3	1	1	B	27 - 53
3	3	1	1	C	27 - 53
4	3	1	1	D	27 - 53
5	3	1	1	E	27 - 53
6	3	1	1	F	27 - 53
7	3	1	1	G	27 - 53
8	3	1	1	H	27 - 53
1	4	1	2	A	54 - 76
2	4	1	2	B	54 - 76
3	4	1	2	C	54 - 76
4	4	1	2	D	54 - 76
5	4	1	2	E	54 - 76
6	4	1	2	F	54 - 76
7	4	1	2	G	54 - 76
8	4	1	2	H	54 - 76
1	5	1	1	A	77 - 101
2	5	1	1	B	77 - 101
3	5	1	1	C	77 - 101
4	5	1	1	D	77 - 101
5	5	1	1	E	77 - 101
6	5	1	1	F	77 - 101
7	5	1	1	G	77 - 101
8	5	1	1	H	77 - 101
1	6	1	5	A	102 - 109
2	6	1	5	B	102 - 109
3	6	1	5	C	102 - 109
4	6	1	5	D	102 - 109
5	6	1	5	E	102 - 109
6	6	1	5	F	102 - 109
7	6	1	5	G	102 - 109
8	6	1	5	H	102 - 109
1	7	1	1	A	110 - 125
2	7	1	1	B	110 - 125
3	7	1	1	C	110 - 125
4	7	1	1	D	110 - 125
5	7	1	1	E	110 - 125
6	7	1	1	F	110 - 125
7	7	1	1	G	110 - 125
8	7	1	1	H	110 - 125
1	8	1	4	A	126 - 130
2	8	1	4	B	126 - 130
3	8	1	4	C	126 - 130
4	8	1	4	D	126 - 130
5	8	1	4	E	126 - 130
6	8	1	4	F	126 - 130
7	8	1	4	G	126 - 130
8	8	1	4	H	126 - 130
1	9	1	1	A	131 - 162
2	9	1	1	B	131 - 162
3	9	1	1	C	131 - 162
4	9	1	1	D	131 - 162
5	9	1	1	E	131 - 162
6	9	1	1	F	131 - 162
7	9	1	1	G	131 - 162
8	9	1	1	H	131 - 162
1	10	1	1	A	169 - 183
2	10	1	1	B	169 - 183
3	10	1	1	C	169 - 183
4	10	1	1	D	169 - 183
5	10	1	1	E	169 - 183
6	10	1	1	F	169 - 183
7	10	1	1	G	169 - 183
8	10	1	1	H	169 - 183
1	11	1	1	A	202 - 229
2	11	1	1	B	202 - 229
3	11	1	1	C	202 - 229
4	11	1	1	D	202 - 229
5	11	1	1	E	202 - 229
6	11	1	1	F	202 - 229
7	11	1	1	G	202 - 229
8	11	1	1	H	202 - 229
1	12	1	4	A	230 - 234
2	12	1	4	B	230 - 234
3	12	1	4	C	230 - 234
4	12	1	4	D	230 - 234
5	12	1	4	E	230 - 234
6	12	1	4	F	230 - 234
7	12	1	4	G	230 - 234
8	12	1	4	H	230 - 234
1	13	1	1	A	287 - 324
2	13	1	1	B	287 - 324
3	13	1	1	C	287 - 324
4	13	1	1	D	287 - 324
5	13	1	1	E	287 - 324
6	13	1	1	F	287 - 324
7	13	1	1	G	287 - 324
8	13	1	1	H	287 - 324
1	14	1	4	A	236 - 286
2	14	1	4	B	236 - 286
3	14	1	4	C	236 - 286
4	14	1	4	D	236 - 286
5	14	1	4	E	236 - 286
6	14	1	4	F	236 - 286
7	14	1	4	G	236 - 286
8	14	1	4	H	236 - 286
1	15	1	3	A	325
2	15	1	3	B	325
3	15	1	3	C	325
4	15	1	3	D	325
5	15	1	3	E	325
6	15	1	3	F	325
7	15	1	3	G	325
8	15	1	3	H	325
1	16	1	1	A	326 - 355
2	16	1	1	B	326 - 355
3	16	1	1	C	326 - 355
4	16	1	1	D	326 - 355
5	16	1	1	E	326 - 355
6	16	1	1	F	326 - 355
7	16	1	1	G	326 - 355
8	16	1	1	H	326 - 355
1	17	1	3	A	235
2	17	1	3	B	235
3	17	1	3	C	235
4	17	1	3	D	235
5	17	1	3	E	235
6	17	1	3	F	235
7	17	1	3	G	235
8	17	1	3	H	235
1	18	1	4	A	163 - 168
2	18	1	4	B	163 - 168
3	18	1	4	C	163 - 168
4	18	1	4	D	163 - 168
5	18	1	4	E	163 - 168
6	18	1	4	F	163 - 168
7	18	1	4	G	163 - 168
8	18	1	4	H	163 - 168
1	19	1	2	A	184 - 201
2	19	1	2	B	184 - 201
3	19	1	2	C	184 - 201
4	19	1	2	D	184 - 201
5	19	1	2	E	184 - 201
6	19	1	2	F	184 - 201
7	19	1	2	G	184 - 201
8	19	1	2	H	184 - 201
1	1	2	6	E	356 - 366
2	1	2	6	G	356 - 366
3	1	2	6	H	356 - 366
1	1	3	6	A	356 - 366
2	1	3	6	B	356 - 366
3	1	3	6	C	356 - 366
4	1	3	6	D	356 - 366
5	1	3	6	F	356 - 366

NCS ensembles :

ID
1
2
3

NCS oper:

ID	Code	Matrix	Vector
1	given	(0.946, -0.09155, 0.311), (-0.09266, -0.9956, -0.01125), (0.3107, -0.01818, -0.9503)	-19.27, -41.12, 108.4
2	given	(-0.97521, -0.10871, -0.19274), (-0.11518, -0.49436, 0.86159), (-0.18894, 0.86243, 0.46959)	86.06313, -82.88605, 59.77095
3	given	(-0.08604, -0.00912, -0.99625), (0.00519, 0.99994, -0.0096), (0.99628, -0.006, -0.08599)	59.24129, -7.46982, 82.21975

#1: Protein	AGMATINE DEIMINASE / / AGMATINE IMINOHYDROLASE Mass: 43960.301 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Details: CARBON ATOM OF THE GUANIDINIUM GROUP OF AGMATINE COVALENTLY LINKED WITH THE THIOL GROUP OF CYS357 Source: (gene. exp.) ENTEROCOCCUS FAECALIS (bacteria) / Strain: SD10 / Plasmid: PET22B / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q837U5, agmatine deiminase
#2: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 2174 / Source method: isolated from a natural source / Formula: H₂O
Sequence details	THE HIS325 OF UNIPROT DATABASE IS AN ARGININE IN THIS E. FAECALIS STRAIN. THE CRYSTAL STRUCTURE ...THE HIS325 OF UNIPROT DATABASE IS AN ARGININE IN THIS E. FAECALIS STRAIN. THE CRYSTAL STRUCTURE INCLUDE THE 24- AMINO ACID C-TERMINAL EXTENSION VGGKQNSSSVDKLAAALEHHHHHH

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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: 51 %
Crystal grow	pH: 7.5 Details: PROTEIN WAS CRYSTALLIZED FROM 1.5M SODIUM CHLORIDE, 1.6M AMMONIUM SULFATE, 0.1M HEPES PH 7.5, 5MM AGMATINE

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: BM16 / Wavelength: 0.9765
Detector	Type: MARRESEARCH / Detector: CCD / Date: Nov 17, 2005
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9765 Å / Relative weight: 1
Reflection	Resolution: 1.65→45.36 Å / Num. obs: 417377 / % possible obs: 100 % / Observed criterion σ(I): 2 / Redundancy: 3.7 % / R_merge(I) obs: 0.08 / Net I/σ(I): 8.4
Reflection shell	Resolution: 1.65→1.74 Å / Redundancy: 3.5 % / R_merge(I) obs: 0.44 / Mean I/σ(I) obs: 2 / % possible all: 100

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0005	refinement
MOSFLM		data reduction
SCALA		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2EWO

2ewo

Resolution: 1.65→50 Å / Cor.coef. F_o:F_c: 0.96 / Cor.coef. F_o:F_c free: 0.947 / SU B: 3.364 / SU ML: 0.052 / Cross valid method: THROUGHOUT / ESU R: 0.109 / ESU R Free: 0.082 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.192	20970	5 %	RANDOM
R_work	0.167	-	-	-
obs	0.168	396242	100 %	-

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: 5.48 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.76 Å²	0 Å²	0.44 Å²
2-	-	-0.62 Å²	0 Å²
3-	-	-	-0.08 Å²

Refinement step

Cycle: LAST / Resolution: 1.65→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	23234	0	0	2174	25408

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.015	0.022	23752
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.507	1.946	32208
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.473	5	2911
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	38.839	25.431	1217
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.389	15	3935
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	20.173	15	119
X-RAY DIFFRACTION	r_chiral_restr	0.154	0.2	3442
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	18451
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.226	0.2	12051
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.308	0.2	16425
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.121	0.2	1916
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	0.222	0.2	50
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.083	0.2	14
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	0.855	1.5	14925
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	1.236	2	23579
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	2.045	3	10059
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	3.197	4.5	8629
X-RAY DIFFRACTION	r_scangle_other
X-RAY DIFFRACTION	r_long_range_B_refined
X-RAY DIFFRACTION	r_long_range_B_other
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	1874	tight positional	0.06	0.05
1	2	B	1874	tight positional	0.05	0.05
1	3	C	1874	tight positional	0.06	0.05
1	4	D	1874	tight positional	0.06	0.05
1	5	E	1874	tight positional	0.04	0.05
1	6	F	1874	tight positional	0.05	0.05
1	7	G	1874	tight positional	0.04	0.05
1	8	H	1874	tight positional	0.04	0.05
1	1	A	793	medium positional	0.45	0.5
1	2	B	793	medium positional	0.55	0.5
1	3	C	793	medium positional	0.48	0.5
1	4	D	793	medium positional	0.51	0.5
1	5	E	793	medium positional	0.53	0.5
1	6	F	793	medium positional	0.51	0.5
1	7	G	793	medium positional	0.45	0.5
1	8	H	793	medium positional	0.42	0.5
1	1	A	103	loose positional	0.54	5
1	2	B	103	loose positional	0.6	5
1	3	C	103	loose positional	0.64	5
1	4	D	103	loose positional	1.33	5
1	5	E	103	loose positional	0.46	5
1	6	F	103	loose positional	0.4	5
1	7	G	103	loose positional	0.54	5
1	8	H	103	loose positional	0.5	5
2	1	E	100	loose positional	0.26	5
2	2	G	100	loose positional	0.44	5
2	3	H	100	loose positional	0.47	5
3	1	A	93	loose positional	0.23	5
3	2	B	93	loose positional	0.24	5
3	3	C	93	loose positional	0.23	5
3	4	D	93	loose positional	0.44	5
3	5	F	93	loose positional	0.16	5
1	1	A	1874	tight thermal	0.17	0.5
1	2	B	1874	tight thermal	0.16	0.5
1	3	C	1874	tight thermal	0.16	0.5
1	4	D	1874	tight thermal	0.15	0.5
1	5	E	1874	tight thermal	0.14	0.5
1	6	F	1874	tight thermal	0.14	0.5
1	7	G	1874	tight thermal	0.12	0.5
1	8	H	1874	tight thermal	0.13	0.5
1	1	A	793	medium thermal	0.86	2
1	2	B	793	medium thermal	0.88	2
1	3	C	793	medium thermal	0.82	2
1	4	D	793	medium thermal	0.86	2
1	5	E	793	medium thermal	0.79	2
1	6	F	793	medium thermal	0.73	2
1	7	G	793	medium thermal	0.64	2
1	8	H	793	medium thermal	0.65	2
1	1	A	103	loose thermal	1.78	10
1	2	B	103	loose thermal	1.93	10
1	3	C	103	loose thermal	2.03	10
1	4	D	103	loose thermal	1.92	10
1	5	E	103	loose thermal	2.26	10
1	6	F	103	loose thermal	1.57	10
1	7	G	103	loose thermal	1.48	10
1	8	H	103	loose thermal	1.49	10
2	1	E	100	loose thermal	2.29	10
2	2	G	100	loose thermal	1.63	10
2	3	H	100	loose thermal	1.83	10
3	1	A	93	loose thermal	1.17	10
3	2	B	93	loose thermal	1.64	10
3	3	C	93	loose thermal	1.19	10
3	4	D	93	loose thermal	3.3	10
3	5	F	93	loose thermal	1.45	10

LS refinement shell

Resolution: 1.65→1.69 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.248	1485	-
R_work	0.202	29288	-
obs	-	-	99.88 %

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	0.5808	-0.1871	-0.1562	0.9274	-0.0453	0.672	-0.0152	0.0433	-0.0018	-0.0559	0.0364	0.0524	0.0226	-0.0756	-0.0211	-0.1503	-0.0115	-0.0161	-0.1138	0.0023	-0.1236	21.637	-10.126	60.278
2	0.7247	0.2198	-0.1297	0.9761	-0.1123	0.7947	-0.0449	0.0581	0.0248	0.0096	0.0591	0.0706	0.012	-0.0936	-0.0142	-0.1375	-0.0196	-0.0084	-0.1128	-0.0112	-0.1262	20.943	-33.724	57.986
3	0.6647	0.0892	-0.0001	1.0054	0.0246	0.8344	-0.0344	0.0355	0.0025	0.0175	0.0292	0.0198	0.0366	0.0035	0.0052	-0.1378	0.0245	-0.0059	-0.1195	0.0071	-0.139	0.014	-41.549	98.239
4	0.5702	0.0029	-0.1364	1.2173	-0.1545	0.7566	-0.0023	0.0246	0.0153	0.0558	0.0498	-0.0139	-0.0473	0.0006	-0.0476	-0.1239	0.0319	-0.0039	-0.1175	0.007	-0.1265	-2.26	-18.109	97.64
5	0.7982	-0.3251	0.003	1.0475	-0.0646	0.4786	-0.0481	-0.0255	0.0412	0.0418	0.0519	-0.2032	-0.0029	0.0687	-0.0038	-0.1379	0.007	-0.0358	-0.0954	-0.0226	-0.0753	54.513	-28.535	75.14
6	0.666	0.0862	-0.042	0.8627	-0.161	0.614	-0.0311	-0.0126	0.0021	-0.0332	0.0195	-0.2174	-0.0258	0.0519	0.0115	-0.1343	-0.0225	0.0162	-0.1037	-0.019	-0.0415	57.832	-18.707	53.906
7	0.6257	0.1944	0.0305	1.1425	-0.4881	0.7518	0.0677	-0.0617	0.0545	0.4272	0.0563	0.2137	-0.125	-0.0622	-0.1241	0.0877	0.0549	0.1221	-0.0703	0.0241	-0.0565	-20.176	-36.251	130.034
8	0.9082	0.3128	-0.2033	1.1689	-0.307	0.8108	0.1255	-0.0989	0.0728	0.5768	-0.0394	0.0998	-0.1575	0.0203	-0.086	0.2078	0.0102	0.0214	-0.0764	-0.0139	-0.1283	0.831	-26.45	135.478
9	0.7049	-0.2678	0.0331	0.9072	-0.2999	0.997	-0.0433	-0.0511	0.1544	0.0785	0.0454	-0.0565	-0.1869	-0.0156	-0.002	-0.1066	0.0001	-0.0263	-0.102	-0.0037	-0.0718	22.02	8.258	65.031
10	0.9659	0.5374	-0.25	0.8968	-0.1839	0.816	-0.1233	0.1599	-0.223	-0.0863	0.0708	-0.0624	0.1789	-0.0243	0.0526	-0.0646	-0.0334	0.0188	-0.084	-0.0395	-0.0553	21.018	-52.092	53.275
11	0.8449	-0.038	0.0643	0.8028	0.0553	0.9013	-0.0126	-0.0165	-0.1845	0.0484	0.008	-0.0239	0.3055	0.0772	0.0045	-0.0101	0.0411	0.0015	-0.0906	0.0093	-0.0824	4.931	-59.838	98.745
12	0.8128	0.1566	-0.0666	1.1005	-0.2415	0.7978	0.0516	-0.019	0.1906	0.153	0.0494	0.101	-0.2438	-0.0968	-0.1011	-0.02	0.0556	0.0443	-0.0889	0.01	-0.0554	-7.569	0.133	98.346
13	0.8176	-0.5124	-0.0027	1.4377	0.0427	0.5165	-0.1978	-0.3311	-0.0159	0.3875	0.194	-0.0872	0.0583	0.0384	0.0037	-0.0131	0.0847	-0.0538	0.0245	-0.0096	-0.0628	51.26	-33.449	93.229
14	0.9477	0.3249	-0.2524	1.2442	0.0212	0.4689	-0.0753	0.1907	0.008	-0.3216	0.0822	-0.2327	-0.0427	0.0096	-0.0069	-0.0302	-0.0473	0.0726	-0.0492	-0.0078	-0.0036	60.997	-13.683	35.922
15	0.4967	0.368	-0.3125	1.888	-0.7285	1.1537	0.0723	0.0894	0.1035	0.3364	0.1939	0.6444	-0.0782	-0.4025	-0.2662	0.0473	0.0669	0.1823	0.0756	0.1076	0.1695	-37.792	-41.563	125.49
16	0.4757	0.2426	0.2705	1.9868	0.1324	1.0309	0.1646	-0.0989	0.0276	0.6419	-0.075	-0.2858	-0.1553	0.2773	-0.0897	0.3051	-0.0579	-0.1063	0.0326	-0.0116	-0.0629	18.491	-21.196	139.967

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 151
2	X-RAY DIFFRACTION	1	A	360 - 367
3	X-RAY DIFFRACTION	2	B	1 - 151
4	X-RAY DIFFRACTION	2	B	360 - 366
5	X-RAY DIFFRACTION	3	C	1 - 151
6	X-RAY DIFFRACTION	3	C	360 - 368
7	X-RAY DIFFRACTION	4	D	1 - 151
8	X-RAY DIFFRACTION	4	D	360 - 373
9	X-RAY DIFFRACTION	5	E	1 - 151
10	X-RAY DIFFRACTION	5	E	360 - 368
11	X-RAY DIFFRACTION	6	F	1 - 151
12	X-RAY DIFFRACTION	6	F	360 - 366
13	X-RAY DIFFRACTION	7	G	1 - 151
14	X-RAY DIFFRACTION	7	G	360 - 367
15	X-RAY DIFFRACTION	8	H	1 - 151
16	X-RAY DIFFRACTION	8	H	360 - 366
17	X-RAY DIFFRACTION	9	A	160 - 354
18	X-RAY DIFFRACTION	10	B	160 - 354
19	X-RAY DIFFRACTION	11	C	160 - 354
20	X-RAY DIFFRACTION	12	D	160 - 354
21	X-RAY DIFFRACTION	13	E	160 - 354
22	X-RAY DIFFRACTION	14	F	160 - 354
23	X-RAY DIFFRACTION	15	G	160 - 354
24	X-RAY DIFFRACTION	16	H	160 - 354

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