PDB-2vze: Crystal structure of human acyl-CoA synthetase medium-chain famil...

ID or keywords:

Entry

Database: PDB / ID: 2vze

Title

Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP

Components

ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL

Keywords

LIGASE / METAL-BINDING / TRANSIT PEPTIDE /

LIPID METABOLISM / NUCLEOTIDE-BINDING / ATP-BINDING / ADENYLATE-FORMING ENZYME /

FATTY ACID METABOLISM / FATTY ACID-COA LIGASE

Function / homology

Function and homology information

Conjugation of salicylate with glycine / fatty acid ligase activity / decanoate-CoA ligase activity / medium-chain acyl-CoA ligase / : /

benzoate-CoA ligase /

benzoate-CoA ligase activity / medium-chain fatty-acyl-CoA metabolic process / acyl-CoA metabolic process /

fatty-acyl-CoA synthase activity ...
Similarity search - Function

Biological species

HOMO SAPIENS (human)

Method

X-RAY DIFFRACTION /

MOLECULAR REPLACEMENT / Resolution: 2.45 Å

Authors

Yue, W.W. / Kochan, G.T. / Pilka, E.S. / Bhatia, C. / von Delft, F. / Arrowsmith, C.H. / Edwards, A.M. / Wikstrom, M. / Bountra, C. / Oppermann, U.

Citation

Journal: J.Mol.Biol. / Year: 2009
Title: Structural Snapshots for the Conformation- Dependent Catalysis by Human Medium-Chain Acyl- Coenzyme a Synthetase Acsm2A.
Authors: Kochan, G. / Pilka, E.S. / Delft, F.V. / Oppermann, U. / Yue, W.W.

History

Deposition	Jul 31, 2008	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Oct 14, 2008	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Refinement description / Version format compliance
Revision 1.2	Jan 24, 2018	Group: Structure summary / Category: audit_author / Item: _audit_author.name
Revision 1.3	Mar 27, 2019	Group: Data collection / Source and taxonomy / Category: entity_src_gen / struct_biol Item: _entity_src_gen.pdbx_host_org_cell_line / _entity_src_gen.pdbx_host_org_strain
Revision 1.4	Dec 13, 2023	Group: Data collection / Database references ...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 / 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 / _pdbx_database_status.status_code_sf / _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_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_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_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Remark 700

SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ...

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2vze.cif.gz	300 KB	Display	PDBx/mmCIF format
PDB format	pdb2vze.ent.gz	236.3 KB	Display	PDB format
PDBx/mmJSON format	2vze.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/vz/2vze ftp://data.pdbj.org/pub/pdb/validation_reports/vz/2vze	HTTPS FTP

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Related structure data

Related structure data	2wd9C 3b7wSC 3c5eC 3dayC 3eq6C 3gpcC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	2wd9-2 3eq6-1 6i3j-1 4zjz-1 3b7w-d 2wd9-3 6i3j-2 6hck-d 6j0x-4 5wm3-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) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

3b7wSC

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#78 - Jun 2006 Luciferase similarity (6) #129 - Sep 2010 Isocitrate Dehydrogenase similarity (1) #154 - Oct 2012 Citric Acid Cycle similarity (1) #24 - Dec 2001 Glycogen Phosphorylase similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1)

Deposited unit

A: ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL

B: ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL

C: ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL

hetero molecules

191 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL

hetero molecules

defined by author&software
63.7 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL

hetero molecules

defined by author&software
63.7 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL

hetero molecules

defined by author&software
63.7 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	97.730, 97.730, 384.600
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	C-2146- HOH

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
1	2	A
2	2	B
3	2	C
1	3	A
2	3	B
1	4	A
2	4	B
3	4	C
1	5	A
2	5	B
3	5	C

NCS domain segments:

Component-ID: 1

Dom-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	HIS	HIS	LEU	LEU	3	A	A	37 - 288	30 - 281
2	1	HIS	HIS	LEU	LEU	3	B	B	37 - 288	30 - 281
3	1	GLY	GLY	LEU	LEU	3	C	C	36 - 288	29 - 281
1	2	HIS	HIS	THR	THR	3	A	A	330 - 385	323 - 378
2	2	HIS	HIS	THR	THR	3	B	B	330 - 385	323 - 378
3	2	HIS	HIS	THR	THR	3	C	C	330 - 385	323 - 378
1	3	TYR	TYR	LEU	LEU	4	A	A	390 - 511	383 - 504
2	3	TYR	TYR	LEU	LEU	4	B	B	390 - 511	383 - 504
1	4	HIS	HIS	LEU	LEU	4	A	A	530 - 548	523 - 541
2	4	HIS	HIS	LEU	LEU	4	B	B	530 - 548	523 - 541
3	4	HIS	HIS	LEU	LEU	4	C	C	530 - 548	523 - 541
1	5	ASP	ASP	GLN	GLN	3	A	A	292 - 321	285 - 314
2	5	ASP	ASP	GLN	GLN	3	B	B	292 - 321	285 - 314
3	5	ASP	ASP	GLN	GLN	3	C	C	292 - 321	285 - 314

NCS ensembles :

ID
1
2
3
4
5

#1: Protein	ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL / ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A / MIDDLE-CHAIN ACYL-COA SYNTHETASE 2A / BUTYRYL ...ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A / MIDDLE-CHAIN ACYL-COA SYNTHETASE 2A / BUTYRYL COENZYME A SYNTHETASE 2A / BUTYRATE--COA LIGASE 2A Mass: 63334.562 Da / Num. of mol.: 3 / Fragment: RESIDUES 32-577 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Cell: MITOCHONDRIA / Plasmid: PFB-LIC-BSE / Cell line (production host): High Five / Production host: TRICHOPLUSIA NI (cabbage looper) / References: UniProt: Q08AH3, medium-chain acyl-CoA ligase
#2: Chemical	ChemComp-AMP / ADENOSINE MONOPHOSPHATE / Adenosine monophosphate Mass: 347.221 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₁₀H₁₄N₅O₇P / Comment: AMP*YM
#3: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Mg
#4: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 655 / Source method: isolated from a natural source / Formula: H₂O
Compound details	ENGINEERED RESIDUE IN CHAIN A, LEU 64 TO PRO ENGINEERED RESIDUE IN CHAIN B, LEU 64 TO PRO ...ENGINEERED RESIDUE IN CHAIN A, LEU 64 TO PRO ENGINEERED RESIDUE IN CHAIN B, LEU 64 TO PRO ENGINEERED RESIDUE IN CHAIN C, LEU 64 TO PRO

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.42 Å³/Da / Density % sol: 49.2 % / Description: NONE
Crystal grow	Details: 0.2M AMMONIUM ACETATE, 0.1M TRIS PH 8.5, 25% PEG 3350

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: ROTATING ANODE / Type: RIGAKU FR-E SUPERBRIGHT / Wavelength: 1.5418
Detector	Type: RIGAKU AREA DETECTOR / Date: Mar 18, 2008 / Details: OSMIC
Radiation	Monochromator: NI / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.5418 Å / Relative weight: 1
Reflection	Resolution: 2.45→37.99 Å / Num. obs: 73402 / % possible obs: 98.1 % / Observed criterion σ(I): 2 / Redundancy: 3 % / R_merge(I) obs: 0.01 / Net I/σ(I): 9.58
Reflection shell	Resolution: 2.45→2.71 Å / Redundancy: 3 % / R_merge(I) obs: 0.49 / Mean I/σ(I) obs: 2 / % possible all: 97.1

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
XDS		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3B7W

3b7w

Resolution: 2.45→39.16 Å / Cor.coef. F_o:F_c: 0.932 / Cor.coef. F_o:F_c free: 0.901 / SU B: 16.992 / SU ML: 0.202 / TLS residual ADP flag: UNVERIFIED / Cross valid method: THROUGHOUT / ESU R: 0.491 / ESU R Free: 0.272 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.243	3454	5 %	RANDOM
R_work	0.193	-	-	-
obs	0.196	65612	100 %	-

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: 1.86 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.04 Å²	0 Å²	0 Å²
2-	-	-0.04 Å²	0 Å²
3-	-	-	0.09 Å²

Refinement step

Cycle: LAST / Resolution: 2.45→39.16 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12382	0	70	655	13107

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.013	0.022	12863
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	8684
X-RAY DIFFRACTION	r_angle_refined_deg	1.452	1.97	17504
X-RAY DIFFRACTION	r_angle_other_deg	0.919	3	21250
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.821	5	1624
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.146	24.36	516
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.966	15	2188
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	15.28	15	64
X-RAY DIFFRACTION	r_chiral_restr	0.112	0.2	1959
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.02	14202
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	2467
X-RAY DIFFRACTION	r_nbd_refined	0.21	0.2	2610
X-RAY DIFFRACTION	r_nbd_other	0.198	0.2	8872
X-RAY DIFFRACTION	r_nbtor_refined	0.18	0.2	6087
X-RAY DIFFRACTION	r_nbtor_other	0.085	0.2	6631
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.179	0.2	594
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	0.215	0.2	30
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.194	0.2	71
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.217	0.2	24
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	0.381	3	8379
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.596	5	12980
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	1.951	8	5423
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	2.581	10	4514
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	1460	tight positional	0.04	0.05
1	2	B	1460	tight positional	0.04	0.05
1	3	C	1460	tight positional	0.05	0.05
2	1	A	322	tight positional	0.04	0.05
2	2	B	322	tight positional	0.04	0.05
2	3	C	322	tight positional	0.04	0.05
5	1	A	174	tight positional	0.04	0.05
5	2	B	174	tight positional	0.04	0.05
5	3	C	174	tight positional	0.04	0.05
3	1	A	1577	medium positional	0.17	0.5
4	1	A	283	medium positional	0.15	0.5
4	2	B	283	medium positional	0.18	0.5
4	3	C	283	medium positional	0.18	0.5
1	1	A	1665	loose positional	0.23	5
1	2	B	1665	loose positional	0.21	5
1	3	C	1665	loose positional	0.29	5
2	1	A	369	loose positional	0.44	5
2	2	B	369	loose positional	0.32	5
2	3	C	369	loose positional	0.29	5
5	1	A	217	loose positional	0.17	5
5	2	B	217	loose positional	0.15	5
5	3	C	217	loose positional	0.17	5
1	1	A	1460	tight thermal	0	0.5
1	2	B	1460	tight thermal	0	0.5
1	3	C	1460	tight thermal	0	0.5
2	1	A	322	tight thermal	0	0.5
2	2	B	322	tight thermal	0	0.5
2	3	C	322	tight thermal	0	0.5
5	1	A	174	tight thermal	0	0.5
5	2	B	174	tight thermal	0	0.5
5	3	C	174	tight thermal	0	0.5
3	1	A	1577	medium thermal	0.15	2
4	1	A	283	medium thermal	0.08	2
4	2	B	283	medium thermal	0.04	2
4	3	C	283	medium thermal	0.04	2
1	1	A	1665	loose thermal	0.8	10
1	2	B	1665	loose thermal	0.98	10
1	3	C	1665	loose thermal	0.88	10
2	1	A	369	loose thermal	1.25	10
2	2	B	369	loose thermal	0.85	10
2	3	C	369	loose thermal	1.27	10
5	1	A	217	loose thermal	0.37	10
5	2	B	217	loose thermal	0.3	10
5	3	C	217	loose thermal	0.42	10

LS refinement shell

Resolution: 2.45→2.51 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.373	243	-
R_work	0.289	4620	-
obs	-	-	100 %

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	3.5525	-2.0626	0.9052	2.9859	0.3083	3.2212	0.1056	0.3611	0.1626	-0.396	-0.1524	-0.0371	-0.0961	-0.2701	0.0468	-0.0299	-0.0615	0.0396	-0.0372	0.0514	-0.0602	-39.1338	21.658	-18.9591
2	1.5096	0.0996	-0.0706	1.378	0.5949	2.4222	0.0353	-0.0885	-0.1263	0.0325	-0.039	0.1224	0.2136	-0.2452	0.0037	-0.0668	-0.0103	0.0061	-0.0506	0.0274	-0.063	-44.2747	22.5551	-0.8886
3	2.7377	-0.1785	-1.0173	1.4664	0.4698	2.1756	-0.048	0.0618	0.141	-0.0235	-0.0547	-0.3166	-0.0406	0.04	0.1028	0.0117	-0.017	-0.0046	-0.1262	-0.0042	-0.0753	-26.8514	21.7133	-12.3272
4	1.0387	0.228	-0.4127	3.5841	0.2524	1.1302	0.0542	0.02	-0.0355	-0.1338	-0.0422	-0.2334	0.0039	0.0332	-0.0119	-0.0064	-0.001	0.0048	-0.06	0.0326	-0.0933	-21.8769	38.5204	-8.0843
5	1.7237	0.0419	0.5567	2.8474	-0.9282	5.1469	0.0827	-0.16	-0.0716	-0.0886	-0.1264	-0.169	0.1831	0.4519	0.0437	-0.0871	-0.0006	0.0071	-0.0158	0.0399	-0.0584	-21.1739	29.675	17.7406
6	0.9882	-2.6961	0.8935	11.0074	1.19	4.4589	0.0612	-0.0717	0.2559	-0.0668	0.0351	-0.3996	-0.5931	0.3051	-0.0964	-0.0598	-0.1113	-0.0138	0.0543	0.0202	0.1035	-17.5446	42.8213	19.8189
7	2.4637	1.9648	0.2772	4.3271	-0.8931	3.0144	-0.0542	0.2076	0.1931	-0.0863	0.0533	-0.1301	-0.5437	0.1212	0.0008	0.0079	0.0378	-0.0317	-0.0416	-0.0342	-0.0393	-26.6039	-7.359	11.1139
8	2.0173	-0.2335	0.5937	1.5705	0.0156	3.0472	-0.0316	-0.3314	0.3784	0.0748	-0.0964	0.2019	-0.3502	-0.3195	0.128	-0.0087	0.025	-0.0079	0.024	-0.1264	0.0105	-26.3544	-3.1001	29.2453
9	1.6507	0.4512	0.5312	2.6878	1.4562	1.8103	0.0392	-0.0839	-0.0225	0.0831	-0.0575	-0.061	0.0714	0.0706	0.0183	-0.0952	0.0321	-0.0167	-0.0299	-0.0078	-0.0944	-27.1139	-20.1659	16.9453
10	2.5877	0.2089	0.6621	1.3898	0.5732	1.3715	-0.0453	-0.0158	-0.0653	-0.0146	0.0642	0.0499	0.0127	0.1256	-0.0188	-0.0674	0.0075	0.0164	-0.0076	0	-0.1259	-10.359	-25.2296	21.2243
11	3.4762	-1.3966	-1.7288	1.2379	0.5109	5.7551	-0.4655	0.0804	-0.4528	0.2887	0.0632	0.3244	0.9278	0.0499	0.4023	0.1624	-0.0032	0.0936	0.083	-0.0492	-0.007	-19.755	-26.8602	46.8771
12	7.6272	-3.8209	-0.961	1.9171	0.4243	1.2393	-0.596	-0.4163	-0.6007	-0.1706	-0.0882	-0.3651	0.75	1.3063	0.6842	0.4215	0.2317	0.031	0.3443	-0.0099	0.1274	-6.5109	-30.6712	49.0941
13	5.1351	2.9265	-0.3103	5.2619	-1.2903	3.6722	0.0475	-0.9083	0.2578	0.7259	-0.1311	0.0549	-0.0026	-0.589	0.0835	0.1398	0.1092	-0.0638	0.2137	-0.0617	0.0191	7.7542	23.1704	50.7655
14	2.4934	-0.3396	-0.1083	1.8386	-0.0708	2.8695	-0.0594	-0.0643	0.3101	0.0444	0.035	0.1463	-0.2433	-0.332	0.0244	-0.0135	-0.0016	-0.0683	0.0161	0.0204	0.0055	5.5013	24.3628	32.5391
15	5.0158	-0.3811	1.4313	3.1327	0.496	1.0196	-0.2228	-0.2471	0.3989	0.3176	-0.0177	-0.517	-0.1008	-0.1373	0.2405	0.1055	0.0141	-0.144	-0.0255	-0.0442	0.0938	20.9559	24.7822	46.3617
16	3.3938	0.5878	1.559	3.7613	0.564	2.3009	0.1094	-0.0728	-0.013	0.445	-0.113	-0.48	0.1577	0.0416	0.0037	0.078	0.0115	-0.1079	-0.0179	0.0611	0.032	27.114	8.4556	41.6135
17	3.2664	1.3346	-2.8021	2.5844	-1.2101	2.8777	0.163	-0.1198	-0.069	0.2347	-0.1013	-0.1522	0.0227	0.2173	-0.0618	-0.0412	0.0043	-0.0675	0.033	0.0594	0.0298	30.7767	19.6635	15.7494
18	12.5349	8.2829	8.4773	8.4209	10.0223	21.0455	-0.2202	-0.3014	-0.8867	0.7434	0.3996	0.5875	1.1069	0.8399	-0.1794	0.1721	0.1423	-0.0298	0.0972	0.1804	0.5391	33.9815	5.4648	15.4042

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	37 - 84
2	X-RAY DIFFRACTION	2	A	85 - 241
3	X-RAY DIFFRACTION	3	A	242 - 305
4	X-RAY DIFFRACTION	4	A	306 - 461
5	X-RAY DIFFRACTION	5	A	462 - 544
6	X-RAY DIFFRACTION	6	A	545 - 569
7	X-RAY DIFFRACTION	7	B	37 - 87
8	X-RAY DIFFRACTION	8	B	88 - 241
9	X-RAY DIFFRACTION	9	B	242 - 305
10	X-RAY DIFFRACTION	10	B	306 - 461
11	X-RAY DIFFRACTION	11	B	462 - 545
12	X-RAY DIFFRACTION	12	B	546 - 569
13	X-RAY DIFFRACTION	13	C	34 - 84
14	X-RAY DIFFRACTION	14	C	85 - 241
15	X-RAY DIFFRACTION	15	C	242 - 305
16	X-RAY DIFFRACTION	16	C	306 - 462
17	X-RAY DIFFRACTION	17	C	463 - 553
18	X-RAY DIFFRACTION	18	C	554 - 569

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