PDB-2pan: Crystal structure of E. coli glyoxylate carboligase

ID or keywords:

Entry

Database: PDB / ID: 2pan

Title

Crystal structure of E. coli glyoxylate carboligase

Components

Glyoxylate carboligase

Keywords

LYASE / thiamin-diphosphate (ThDP) / thimain-dependent enzymes / FAD /

enzyme / glyoxylate carboligase

Function / homology

Function and homology information

tartronate-semialdehyde synthase /

tartronate-semialdehyde synthase activity / glycolate catabolic process /

acetolactate synthase complex / glyoxylate catabolic process / valine biosynthetic process / isoleucine biosynthetic process /

thiamine pyrophosphate binding / FAD binding /

flavin adenine dinucleotide binding ...
Similarity search - Function

Biological species

Escherichia coli (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MAD / Resolution: 2.7 Å

Authors

Kaplun, A. / Chipman, D.M. / Barak, Z. / Vyazmensky, M. / Shaanan, B.

Citation

Journal: Nat.Chem.Biol. / Year: 2008
Title: Glyoxylate carboligase lacks the canonical active site glutamate of thiamine-dependent enzymes.
Authors: Kaplun, A. / Binshtein, E. / Vyazmensky, M. / Steinmetz, A. / Barak, Z. / Chipman, D.M. / Tittmann, K. / Shaanan, B.

History

Deposition	Mar 27, 2007	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jan 1, 2008	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Derived calculations / Version format compliance
Revision 2.0	Aug 4, 2021	Group: Atomic model / Data collection ...Atomic model / Data collection / Database references / Derived calculations / Non-polymer description / Structure summary Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_conn_angle / struct_conn / struct_conn_type / struct_ref_seq_dif / struct_site / struct_site_gen Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _chem_comp.formula / _chem_comp.formula_weight / _chem_comp.id / _chem_comp.mon_nstd_flag / _chem_comp.name / _chem_comp.type / _entity.formula_weight / _entity.pdbx_description / _pdbx_entity_nonpoly.comp_id / _pdbx_entity_nonpoly.name / _pdbx_nonpoly_scheme.mon_id / _pdbx_nonpoly_scheme.pdb_mon_id / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn_type.id / _struct_ref_seq_dif.details / _struct_site.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id / _struct_site_gen.auth_comp_id / _struct_site_gen.label_comp_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2pan.cif.gz	1.3 MB	Display	PDBx/mmCIF format
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Validation report

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

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Related structure data

Similar structure data	3hwx-6 1z7n-d 1p1h-d 6imc-d 1la2-d 5ofq-d 1bqg-1 3n6h-d 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
Related items in Molecule of the Month	#263 - Nov 2021 Acetohydroxyacid Synthase similarity (9) #213 - Sep 2017 Sirtuins similarity (1) #153 - Sep 2012 Pyruvate Dehydrogenase Complex similarity (2) #92 - Aug 2007 Anabolic Steroids similarity (1) #127 - Jul 2010 Crystallins similarity (1) #174 - Jun 2014 GFP-like Proteins similarity (1) #89 - May 2007 Aconitase and Iron Regulatory Protein 1 similarity (1) #154 - Oct 2012 Citric Acid Cycle similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

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Deposited unit

A: Glyoxylate carboligase

B: Glyoxylate carboligase

C: Glyoxylate carboligase

D: Glyoxylate carboligase

E: Glyoxylate carboligase

F: Glyoxylate carboligase

hetero molecules

419 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Glyoxylate carboligase

B: Glyoxylate carboligase

hetero molecules

A: Glyoxylate carboligase

B: Glyoxylate carboligase

hetero molecules

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

2

C: Glyoxylate carboligase

D: Glyoxylate carboligase

E: Glyoxylate carboligase

F: Glyoxylate carboligase

hetero molecules

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

Unit cell

Length a, b, c (Å)	188.180, 188.180, 249.400
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	92
Space group name H-M	P4₁2₁2

Components on special symmetry positions

ID	Model	Components
1	1	A-1501- MG
2	1	B-1501- MG

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
4	1	D
5	1	E
6	1	F

NCS domain segments:

Component-ID: 1 / Ens-ID: 1 / Beg label comp-ID: ALA / End label comp-ID: TYR / Refine code: 2 / Auth seq-ID: 2 - 592 / Label seq-ID: 25 - 615

Dom-ID	Auth asym-ID	Label asym-ID
1	A	A
2	B	B
3	C	C
4	D	D
5	E	E
6	F	F

Details

The asymmetric contains 6 monomers. Four monomers (chains C,D,E,F) form one complete tetramer. Two monomers (chains A,B) form tetramer by rotation around the diagonal 2-fold in the ab plane at z=1/4 (symmop 8 of the spacegroup: -y,-x,-z+1/2), followed by 0,0,-1 translation

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Protein , 1 types, 6 molecules ABCDEF

#1: Protein	Glyoxylate carboligase / Tartronate-semialdehyde synthase Mass: 68435.703 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Strain: XL1 / Gene: gcl / Plasmid: pQE60 / Production host: Escherichia coli (E. coli) / Strain (production host): XL1 References: UniProt: P0AEP7, tartronate-semialdehyde synthase

#1: Protein

Glyoxylate carboligase / Tartronate-semialdehyde synthase

Mass: 68435.703 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Escherichia coli (E. coli) / Strain: XL1 / Gene: gcl / Plasmid: pQE60 / Production host:

Escherichia coli (E. coli) / Strain (production host): XL1
References: UniProt: P0AEP7,

tartronate-semialdehyde synthase

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Non-polymers , 6 types, 392 molecules

#2: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: Mg
#3: Chemical	ChemComp-FAD / FLAVIN-ADENINE DINUCLEOTIDE / Flavin adenine dinucleotide Mass: 785.550 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₂₇H₃₃N₉O₁₅P₂ / Comment: FAD*YM
#4: Chemical	ChemComp-TPP / THIAMINE DIPHOSPHATE / Thiamine pyrophosphate Mass: 425.314 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₁₂H₁₉N₄O₇P₂S
#5: Chemical	ChemComp-DTT / 2,3-DIHYDROXY-1,4-DITHIOBUTANE / 1,4-DITHIOTHREITOL / Dithiothreitol Mass: 154.251 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₄H₁₀O₂S₂
#6: Chemical	ChemComp-1PE / PENTAETHYLENE GLYCOL / PEG400 / Polyethylene glycol Mass: 238.278 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₀H₂₂O₆ / Comment: precipitant*YM
#7: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 363 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.69 Å³/Da / Density % sol: 54.32 %
Crystal grow	Temperature: 294 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 2-4 microlitre of protein solution (5-15 mg/ml, 100 micromolar ThDP, 10 micromolar FAD, 1mM MgCl2 and 10 mM quinone Q0) were mixed with equal volume of reservoir solution (0.5% PEG6000, 0.5M ...Details: 2-4 microlitre of protein solution (5-15 mg/ml, 100 micromolar ThDP, 10 micromolar FAD, 1mM MgCl2 and 10 mM quinone Q0) were mixed with equal volume of reservoir solution (0.5% PEG6000, 0.5M NaCl, 40 mM DTT), pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 294.K

Crystal

Density Matthews: 2.69 Å³/Da / Density % sol: 54.32 %

Crystal grow

Temperature: 294 K / Method: vapor diffusion, hanging drop / pH: 8
Details: 2-4 microlitre of protein solution (5-15 mg/ml, 100 micromolar ThDP, 10 micromolar FAD, 1mM MgCl2 and 10 mM quinone Q0) were mixed with equal volume of reservoir solution (0.5% PEG6000, 0.5M ...

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

ESRF

/ Beamline: ID14-4 / Wavelength: 0.97897, 0.97946, 0.93929

Detector

Type: ADSC QUANTUM 4 / Detector: CCD / Date: Dec 1, 2004 / Details: BENT CRYSTAL

Radiation

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

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	0.97897	1
2	0.97946	1
3	0.93929	1

Reflection

Av σ(I) over netI: 8.92 / Number: 1046103 / R_merge(I) obs: 0.127 / D res high: 2.8 Å / Num. obs: 210109 / % possible obs: 99.7

Diffraction reflection shell

Highest resolution (Å)	Lowest resolution (Å)	% possible obs (%)	ID	R_merge(I) obs
10	50	90.8	1	0.032
8	10	100	1	0.037
6	8	100	1	0.056
5	6	100	1	0.072
3	5	100	1	0.145
2.8	3	100	1	0.573

Reflection

Resolution: 2.7→50 Å / Num. obs: 122672 / % possible obs: 99.2 % / Observed criterion σ(I): -3 / Redundancy: 4.4 % / B_iso Wilson estimate: 37.8 Å² / R_merge(I) obs: 0.101 / R_sym value: 0.089 / Net I/σ(I): 9.43

Reflection shell

Resolution: 2.7→2.8 Å / Redundancy: 2.21 % / R_merge(I) obs: 0.347 / Mean I/σ(I) obs: 2.76 / R_sym value: 0.28 / % possible all: 93.1

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Phasing

Phasing	Method: MAD

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
SHARP		phasing
SOLOMON		phasing
REFMAC		refinement
PDB_EXTRACT	2	data extraction
XDS		data reduction

Refinement

Method to determine structure:

MAD / Resolution: 2.7→20 Å / Cor.coef. F_o:F_c: 0.962 / Cor.coef. F_o:F_c free: 0.94 / SU B: 25.351 / SU ML: 0.255 / Cross valid method: THROUGHOUT / ESU R Free: 0.35 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.253	2453	2 %	RANDOM
R_work	0.219	-	-	-
obs	0.22	122207	99.9 %	-

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: 27.79 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.09 Å²	0 Å²	0 Å²
2-	-	-0.09 Å²	0 Å²
3-	-	-	0.18 Å²

Refinement step

Cycle: LAST / Resolution: 2.7→20 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	27180	0	548	363	28091

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.009	0.022	28299
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	26036
X-RAY DIFFRACTION	r_angle_refined_deg	1.229	1.98	38480
X-RAY DIFFRACTION	r_angle_other_deg	0.79	3	60354
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.916	5	3546
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	34.25	23.99	1218
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.993	15	4590
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.681	15	192
X-RAY DIFFRACTION	r_chiral_restr	0.064	0.2	4326
X-RAY DIFFRACTION	r_gen_planes_refined	0.003	0.02	31473
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	5521
X-RAY DIFFRACTION	r_nbd_refined	0.184	0.2	5719
X-RAY DIFFRACTION	r_nbd_other	0.169	0.2	26431
X-RAY DIFFRACTION	r_nbtor_refined	0.17	0.2	13578
X-RAY DIFFRACTION	r_nbtor_other	0.081	0.2	16561
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.127	0.2	529
X-RAY DIFFRACTION	r_xyhbond_nbd_other	0.02	0.2	1
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.19	0.2	58
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.198	0.2	230
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.164	0.2	15
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	0.524	1.5	22193
X-RAY DIFFRACTION	r_mcbond_other	0.065	1.5	7194
X-RAY DIFFRACTION	r_mcangle_it	0.504	2	28440
X-RAY DIFFRACTION	r_scbond_it	1.024	3	12070
X-RAY DIFFRACTION	r_scangle_it	1.463	4.5	10040
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	A	3470	tight positional	0.02	0.05
2	B	3470	tight positional	0.02	0.05
3	C	3470	tight positional	0.02	0.05
4	D	3470	tight positional	0.02	0.05
5	E	3470	tight positional	0.02	0.05
6	F	3470	tight positional	0.02	0.05
1	A	5334	medium positional	0.31	0.5
2	B	5334	medium positional	0.27	0.5
3	C	5334	medium positional	0.29	0.5
4	D	5334	medium positional	0.27	0.5
5	E	5334	medium positional	0.3	0.5
6	F	5334	medium positional	0.34	0.5
1	A	3470	tight thermal	0.04	0.5
2	B	3470	tight thermal	0.03	0.5
3	C	3470	tight thermal	0.03	0.5
4	D	3470	tight thermal	0.03	0.5
5	E	3470	tight thermal	0.03	0.5
6	F	3470	tight thermal	0.03	0.5
1	A	5334	medium thermal	0.21	2
2	B	5334	medium thermal	0.2	2
3	C	5334	medium thermal	0.16	2
4	D	5334	medium thermal	0.15	2
5	E	5334	medium thermal	0.14	2
6	F	5334	medium thermal	0.15	2

LS refinement shell

Resolution: 2.7→2.77 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.357	180	-
R_work	0.328	7745	-
obs	-	-	98.76 %

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	0.5151	0.0719	0.2888	0.4086	0.1416	1.1767	-0.0199	0.0692	0.0733	-0.0565	-0.0134	-0.0318	-0.1155	0.0315	0.0333	-0.0066	-0.0175	-0.0016	0.0132	0.0224	0.0369	-30.1887	54.9803	-63.4111
2	0.2684	-0.0308	-0.0356	0.4982	0.1904	0.4954	-0.0182	-0.0784	0.0105	0.0866	-0.0074	-0.0232	-0.0117	0.051	0.0256	-0.0018	-0.0209	-0.0333	0.0263	0.0161	0.0178	-24.0709	42.0087	-41.9667
3	0.3579	-0.0934	-0.2855	1.4183	0.8586	1.9284	0.0505	-0.0968	-0.0617	0.2116	0.0376	-0.1523	0.0514	0.1922	-0.0881	-0.0507	0.0096	-0.0991	-0.0203	0.0252	0.0031	-17.1728	33.1415	-39.5649
4	0.5387	0.2175	-0.2215	0.68	-0.4315	0.6249	0.0141	-0.0691	0.0071	0.0719	-0.0196	-0.0645	-0.0597	0.06	0.0054	0.045	-0.0312	-0.0167	-0.0021	-0.0045	0.0418	-49.9455	72.5459	-55.1037
5	0.4013	-0.0571	-0.1165	0.4712	-0.178	0.5309	0.0543	0.104	0.0835	-0.0167	-0.0203	-0.017	-0.1185	-0.015	-0.034	0.0441	-0.0186	0.0242	-0.0049	0.0456	0.0388	-57.3004	84.3637	-76.8324
6	2.0993	0.187	-1.635	0.536	-0.3466	1.7987	0.121	0.1539	0.2803	0.0765	0.0971	0.1582	-0.1725	-0.0104	-0.218	0.0231	0.054	0.0104	-0.0618	0.1016	0.035	-65.4942	91.9776	-79.5028
7	0.691	0.0227	0.2858	0.443	0.0601	1.1467	0.0086	0.1227	0.035	-0.1171	-0.032	-0.0261	-0.1283	0.0085	0.0234	0.2248	-0.0145	0.0308	0.1361	0.0154	0.1569	-30.0168	55.005	-139.1008
8	0.26	-0.0175	-0.0392	0.4787	0.1477	0.4607	0.0122	-0.0545	-0.0292	0.0643	-0.0269	-0.044	-0.015	0.0391	0.0147	0.1978	-0.0316	-0.0043	0.1425	0.022	0.1412	-23.9558	42.0608	-117.616
9	0.5788	-0.1967	-0.2936	1.4227	0.3933	1.6396	0.1037	0.0369	-0.0122	0.2537	-0.0139	-0.1471	0.081	0.125	-0.0898	0.1847	-0.034	-0.0492	0.1104	0.0288	0.1174	-17.0873	33.1984	-115.1904
10	0.6585	0.2334	-0.2635	0.8463	-0.4527	0.8197	-0.0205	-0.0253	-0.0098	0.0834	-0.0112	-0.0474	0.0141	0.0598	0.0317	0.2301	-0.0198	0.0136	0.1107	0.0036	0.163	-49.7203	72.5299	-130.6967
11	0.6352	-0.2076	-0.0087	0.5899	-0.0693	0.5385	0.0536	0.1678	0.0465	-0.0757	-0.0886	0.0013	-0.0548	0.0126	0.035	0.2183	-0.0078	0.0291	0.1492	0.0219	0.1452	-57.1707	84.4159	-152.3423
12	1.7753	-0.0294	-1.4986	0.05	-0.002	2.4105	0.1478	0.2619	0.2179	-0.0149	-0.0401	0.0023	-0.0453	0.0151	-0.1077	0.1986	0.0518	0.0072	0.0849	0.0417	0.1473	-65.3091	92.0588	-154.9233
13	0.4265	0.0142	0.1505	0.5166	0.2181	1.5946	0.0175	0.0063	-0.0965	-0.009	-0.0356	0.1665	0.0339	-0.1948	0.0182	0.2296	-0.0199	0.022	0.1286	-0.0468	0.2501	-54.886	30.3071	-136.9616
14	0.5397	-0.0997	0.0445	0.298	0.0128	0.53	0.0431	0.1916	-0.1014	-0.0972	-0.0736	0.076	0.079	-0.0248	0.0305	0.2808	0.0017	0.0127	0.1822	-0.0875	0.219	-41.8964	24.1179	-158.3733
15	1.5122	-0.3379	0.9861	0.6142	-0.1781	1.8458	0.1184	0.3794	-0.2461	-0.0934	-0.0079	0.0412	0.2297	0.0605	-0.1105	0.2363	0.0538	0.0428	0.1652	-0.1238	0.1965	-33.0601	17.1792	-160.7607
16	0.8203	0.1564	-0.2578	0.5605	-0.1802	0.5566	0.0298	0.1069	-0.105	-0.1559	-0.013	0.0433	0.1322	-0.0149	-0.0168	0.243	-0.0353	0.0147	0.1949	-0.0596	0.2362	-72.5751	50.1339	-145.1222
17	0.2903	0.1154	-0.1071	0.8257	-0.2687	0.6926	0.005	-0.0559	-0.0768	0.0985	0.0229	0.1331	0.0175	-0.1531	-0.0279	0.1818	-0.0384	0.0728	0.2079	-0.0057	0.228	-84.2287	57.4499	-123.2812
18	0.9982	-0.0608	-0.404	2.0701	-1.0714	1.5154	0.0577	0.0347	0.0892	0.2062	0.03	0.2906	0.0521	-0.268	-0.0878	0.1609	-0.0239	0.1349	0.1571	-0.0108	0.2395	-91.7746	65.6578	-120.4737

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	X-RAY DIFFRACTION	1	A	A	2 - 233	25 - 256
2	X-RAY DIFFRACTION	2	A	A	234 - 530	257 - 553
3	X-RAY DIFFRACTION	3	A	A	531 - 593	554 - 616
4	X-RAY DIFFRACTION	4	B	B	2 - 233	25 - 256
5	X-RAY DIFFRACTION	5	B	B	234 - 530	257 - 553
6	X-RAY DIFFRACTION	6	B	B	531 - 593	554 - 616
7	X-RAY DIFFRACTION	7	C	C	2 - 233	25 - 256
8	X-RAY DIFFRACTION	8	C	C	234 - 530	257 - 553
9	X-RAY DIFFRACTION	9	C	C	531 - 593	554 - 616
10	X-RAY DIFFRACTION	10	D	D	2 - 233	25 - 256
11	X-RAY DIFFRACTION	11	D	D	234 - 530	257 - 553
12	X-RAY DIFFRACTION	12	D	D	531 - 593	554 - 616
13	X-RAY DIFFRACTION	13	E	E	2 - 233	25 - 256
14	X-RAY DIFFRACTION	14	E	E	234 - 530	257 - 553
15	X-RAY DIFFRACTION	15	E	E	531 - 593	554 - 616
16	X-RAY DIFFRACTION	16	F	F	2 - 233	25 - 256
17	X-RAY DIFFRACTION	17	F	F	234 - 530	257 - 553
18	X-RAY DIFFRACTION	18	F	F	531 - 593	554 - 616

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