PDB-2vx2: Crystal structure of human enoyl Coenzyme A hydratase domain- con...

ID or keywords:

Entry

Database: PDB / ID: 2vx2

Title

Crystal structure of human enoyl Coenzyme A hydratase domain- containing protein 3 (ECHDC3)

Components

ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

Keywords

ISOMERASE / FATTY ACID METABOLISM / TRANSIT PEPTIDE / LIPID METABOLISM / CRONTONASE / MITOCHONDRION / CASP

Function / homology

Function and homology information

positive regulation of cellular response to insulin stimulus / enoyl-CoA hydratase activity / hydro-lyase activity / fatty acid metabolic process / mitochondrion
Similarity search - Function

Biological species

HOMO SAPIENS (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.3 Å

Authors

Yue, W.W. / Guo, K. / Kochan, G. / Pilka, E. / Murray, J.W. / Salah, E. / Cocking, R. / Sun, Z. / Roos, A.K. / Pike, A.C.W. ...

Citation

Journal: To be Published
Title: Crystal Structure of Human Enoyl Coenzyme a Hydratase Domain-Containing Protein 3 (Echdc3)
Authors: Yue, W.W. / Guo, K. / Kochan, G. / Pilka, E. / Murray, J.W. / Salah, E. / Cocking, R. / Sun, Z. / Roos, A.K. / Pike, A.C.W. / Filippakopoulos, P. / Arrowsmith, C. / Wikstrom, M. / Edwards, A. ...

History

Deposition	Jun 30, 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	Dec 13, 2023	Group: Data collection / Database references ...Data collection / Database references / 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_ncs_dom_lim 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_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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2vx2.cif.gz	430.9 KB	Display	PDBx/mmCIF format
PDB format	pdb2vx2.ent.gz	352.7 KB	Display	PDB format
PDBx/mmJSON format	2vx2.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	2vx2_validation.pdf.gz	470.7 KB	Display	wwPDB validaton report
Full document	2vx2_full_validation.pdf.gz	494.1 KB	Display
Data in XML	2vx2_validation.xml.gz	44.3 KB	Display
Data in CIF	2vx2_validation.cif.gz	70.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/vx/2vx2 ftp://data.pdbj.org/pub/pdb/validation_reports/vx/2vx2	HTTPS FTP

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Related structure data

Related structure data	1uiyS S: Starting model for refinement
Similar structure data	2fw2-3 3moy-1 5ve2-3 4q1h-d 4q1k-d 5ve2-2 3myb-d 5ve2-4 3trr-1 3qxz-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

1uiyS

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

B: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

C: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

D: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

E: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

F: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

G: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

H: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

I: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

282 kDa, 9 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

B: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

C: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

defined by author&software
93.8 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

D: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

E: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

F: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

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

3

G: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

H: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

I: ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

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

Unit cell

Length a, b, c (Å)	235.756, 135.296, 83.871
Angle α, β, γ (deg.)	90.00, 98.84, 90.00
Int Tables number	5
Space group name H-M	C121

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
1	2	G
2	2	H
3	2	I

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	ARG	ARG	LYS	LYS	4	A	A	51 - 293	38 - 280
2	1	ARG	ARG	LYS	LYS	4	B	B	51 - 293	38 - 280
3	1	ARG	ARG	LYS	LYS	4	C	C	51 - 293	38 - 280
4	1	ARG	ARG	LYS	LYS	4	D	D	51 - 293	38 - 280
5	1	ARG	ARG	LYS	LYS	4	E	E	51 - 293	38 - 280
6	1	ARG	ARG	LYS	LYS	4	F	F	51 - 293	38 - 280
1	2	GLY	GLY	GLY	GLY	2	G	G	55 - 283	42 - 270
2	2	GLY	GLY	GLY	GLY	2	H	H	55 - 283	42 - 270
3	2	GLY	GLY	GLY	GLY	2	I	I	55 - 283	42 - 270

NCS ensembles :

ID
1
2

#1: Protein	ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3 Mass: 31280.820 Da / Num. of mol.: 9 / Fragment: ENOYL COA HYDRATASE DOMAIN, RESIDUES 37-300 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Plasmid: PNIC28-BSA4 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): R3-PRARE2 / References: UniProt: Q96DC8
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 573 / Source method: isolated from a natural source / Formula: H₂O

#1: Protein

ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3

Mass: 31280.820 Da / Num. of mol.: 9 / Fragment: ENOYL COA HYDRATASE DOMAIN, RESIDUES 37-300
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

HOMO SAPIENS (human) / Plasmid: PNIC28-BSA4 / Production host:

ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): R3-PRARE2 / References: UniProt: Q96DC8

#2: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 573 / 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: 2.35 Å³/Da / Density % sol: 47.7 % / Description: NONE
Crystal grow	Details: 0.20M NA(FORM); 0.1M BTPROP PH 8.5, 20.0% PEG350, 10.0% ETGLY

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 0.979
Detector	Type: MARRESEARCH / Detector: CCD / Date: Apr 10, 2008
Radiation	Monochromator: SI (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 2.3→117 Å / Num. obs: 118152 / % possible obs: 99.6 % / Observed criterion σ(I): 2 / Redundancy: 2.8 % / R_merge(I) obs: 0.08 / Net I/σ(I): 9.7
Reflection shell	Resolution: 2.3→2.46 Å / Redundancy: 2.8 % / R_merge(I) obs: 0.52 / Mean I/σ(I) obs: 2.3 / % possible all: 99.5

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Processing

Software

Name	Version	Classification
REFMAC	5.4.0066	refinement
MOSFLM		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1UIY

1uiy

Resolution: 2.3→117.04 Å / Cor.coef. F_o:F_c: 0.967 / Cor.coef. F_o:F_c free: 0.944 / SU B: 14.448 / SU ML: 0.176 / TLS residual ADP flag: UNVERIFIED / Cross valid method: THROUGHOUT / ESU R: 0.268 / ESU R Free: 0.207 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.22	5767	5 %	RANDOM
R_work	0.17	-	-	-
obs	0.172	108794	99.4 %	-

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: 17.09 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.35 Å²	0 Å²	0.69 Å²
2-	-	-3.73 Å²	0 Å²
3-	-	-	4.29 Å²

Refinement step

Cycle: LAST / Resolution: 2.3→117.04 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16927	0	0	573	17500

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.02	0.022	17255
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	11330
X-RAY DIFFRACTION	r_angle_refined_deg	1.633	1.972	23471
X-RAY DIFFRACTION	r_angle_other_deg	1.066	3	27901
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.93	5	2295
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.816	24.375	640
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.145	15	2841
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.132	15	97
X-RAY DIFFRACTION	r_chiral_restr	0.095	0.2	2826
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.021	19306
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	3182
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	0.665	1.5	11458
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	1.169	2	18384
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	2.179	3	5797
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	3.421	4.5	5082
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
2	1	G	1345	tight positional	0.03	0.05
2	2	H	1345	tight positional	0.03	0.05
2	3	I	1345	tight positional	0.03	0.05
1	1	A	2884	medium positional	0.27	0.5
1	2	B	2884	medium positional	0.26	0.5
1	3	C	2884	medium positional	0.37	0.5
1	4	D	2884	medium positional	0.24	0.5
1	5	E	2884	medium positional	0.29	0.5
1	6	F	2884	medium positional	0.25	0.5
2	1	G	1198	medium positional	0.05	0.5
2	2	H	1198	medium positional	0.06	0.5
2	3	I	1198	medium positional	0.08	0.5
2	1	G	1345	tight thermal	0.06	0.5
2	2	H	1345	tight thermal	0.07	0.5
2	3	I	1345	tight thermal	0.08	0.5
1	1	A	2884	medium thermal	1.25	2
1	2	B	2884	medium thermal	0.8	2
1	3	C	2884	medium thermal	1.04	2
1	4	D	2884	medium thermal	0.75	2
1	5	E	2884	medium thermal	0.72	2
1	6	F	2884	medium thermal	0.77	2
2	1	G	1198	medium thermal	0.07	2
2	2	H	1198	medium thermal	0.07	2
2	3	I	1198	medium thermal	0.07	2

LS refinement shell

Resolution: 2.3→2.36 Å / Total num. of bins used: 20 /

	R_factor	Num. reflection
R_free	0.284	396
R_work	0.234	8058

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	0.7913	0.0555	-0.0453	2.9441	-3.2121	3.8443	-0.0421	0.0563	0.2303	-0.035	0.1157	0.8548	-0.4662	-0.3783	-0.0736	-0.2497	0.0139	-0.112	-0.1035	0.076	-0.0228	-26.849	108.589	17.504
2	1.3916	0.6086	0.4324	4.2129	0.5005	0.8997	-0.0076	-0.0472	0.2688	-0.0236	0.0023	0.6701	-0.0619	-0.1517	0.0054	-0.3014	0.0381	0.0016	-0.1621	0.0208	-0.14	-19.626	111.689	26.937
3	1.7518	1.0023	0.2794	2.9569	0.0695	0.7433	-0.1679	0.3222	-0.095	-0.4073	0.2627	0.2233	-0.0238	-0.0127	-0.0948	-0.1791	-0.03	-0.0636	-0.1144	0.0126	-0.4146	-10.813	102.071	18.018
4	5.4109	0.7386	0.821	2.2724	-0.0755	2.1469	-0.1529	0.0514	-0.2636	-0.0451	0.1413	0.3043	0.2716	-0.1467	0.0116	-0.1703	-0.0831	-0.0268	-0.2364	0.039	-0.1017	-17.868	78.636	28.641
5	4.4168	2.714	-0.8923	1.9553	-0.9954	1.3414	-0.2031	0.0898	-1.3826	-0.4434	0.1394	-0.9156	0.5843	0.0841	0.0637	0.0062	0.0479	0.1217	-0.2784	-0.082	0.5421	1.331	67.124	22.639
6	10.4101	2.6985	-1.0913	3.7161	-0.8488	2.4931	0.1514	-0.4041	-0.2784	0.1462	-0.2376	-0.3309	0.225	-0.073	0.0861	-0.0557	0.0165	-0.0119	-0.1754	0.0444	0.0124	-8.551	71.449	33.399
7	2.8891	0.6969	-0.6032	2.11	-0.2317	0.7186	-0.1671	0.4229	-0.7325	-0.467	0.0957	-0.5227	0.1763	-0.0393	0.0714	-0.0788	-0.0519	0.0973	-0.1708	-0.1056	-0.0229	-1.769	81.542	17.15
8	3.7948	1.2574	0.2331	0.6765	-0.1866	1.3659	-0.0058	-0.4745	-1.0626	0.0697	-0.0673	-0.6083	0.1908	0.2805	0.0731	-0.2271	0.0981	0.0473	-0.0316	0.0992	0.3881	22.268	84.768	29.577
9	9.9585	-5.1742	-0.2023	9.0318	-0.3532	0.6135	0.0541	0.231	0.2723	-0.5098	0.0162	-1.0298	-0.3935	0.559	-0.0703	-0.221	-0.1559	0.0689	0.0025	-0.0856	-0.1272	24.667	118.219	22.148
10	4.1002	-0.2198	-0.6363	0.623	-0.8099	2.1383	-0.1759	-0.3596	0.0794	0.1173	0.0592	-0.8721	0.1486	0.3335	0.1167	-0.3101	-0.0515	-0.0288	-0.0109	-0.0297	0.0065	27.883	108.817	26.718
11	2.6978	-0.3201	-0.4922	1.7826	0.0391	0.6282	-0.0522	-0.0005	-0.2224	-0.0972	0.0315	-0.3063	-0.0479	0.1733	0.0207	-0.257	-0.0227	0.0276	-0.1219	-0.0203	-0.2751	13.022	105.775	24.189
12	4.4933	1.0942	5.2991	9.374	0.9976	12.1749	0.8472	-0.4514	0.0739	-0.0232	-0.2406	-0.7329	-0.0334	-0.0732	-0.6066	-0.0411	-0.1238	-0.0326	-0.0667	0.0812	0.0145	4.239	129.684	24.625
13	2.4243	1.4447	0.3757	6.4408	-0.1982	3.4142	-0.1497	0.0718	0.0006	-0.1087	0.142	-1.1717	-0.1261	0.3425	0.0077	-0.3422	-0.0066	-0.0456	-0.1287	0.0126	0.397	108.555	92.382	23.807
14	2.7282	0.0694	0.2252	5.8102	-0.8135	2.486	-0.1503	0.2916	0.4757	-0.4477	-0.0158	-0.6399	-0.2949	0.3519	0.1661	-0.2116	-0.0791	-0.0173	-0.1293	0.0532	0.3107	102.998	106.263	19.375
15	1.5716	-0.5289	0.3058	3.3493	-0.1569	0.7117	-0.1369	-0.2099	0.1288	0.3525	0.0801	-0.2884	-0.1217	0.0809	0.0568	-0.1946	-0.0022	-0.0879	-0.1459	0.0041	0.0113	93.627	95.519	29.823
16	3.7323	-3.2749	1.4129	5.5965	-1.5001	0.8049	0.0684	0.2689	-0.3104	-0.4575	-0.026	0.0047	-0.0362	0.0429	-0.0424	-0.2001	0.0216	-0.0187	-0.1984	-0.0298	0.094	88.183	71.653	18.972
17	3.054	-1.753	-0.6568	3.2166	0.8228	1.3971	0.0356	0.0323	-0.4647	-0.0331	-0.0934	0.4683	0.173	-0.2192	0.0578	-0.2557	-0.0506	-0.0156	-0.1558	-0.0243	0.2678	68.525	70.322	23.801
18	2.8192	-0.6186	-0.3994	1.604	0.2079	0.5152	-0.0014	-0.4397	-0.1898	0.289	-0.0318	0.2656	0.0409	-0.1207	0.0332	-0.178	-0.0027	0.0179	-0.1066	0.0188	0.0537	73.419	82.475	31.644
19	9.65	0.1835	-2.5155	1.7525	0.1125	2.0635	0.2416	0.4768	0.0995	-0.1136	-0.2218	0.6258	-0.2285	-0.2659	-0.0198	-0.2378	0.1285	-0.0906	-0.0329	-0.0695	0.2956	54.581	99.196	20.814
20	13.3524	0.2483	0.2494	6.6294	8.2261	27.1816	-0.1813	0.0885	-0.637	0.1517	0.1554	0.8173	-0.093	0.7228	0.0258	-0.3816	0.1118	0.1013	-0.0465	-0.0382	0.2485	45.054	90.031	27.777
21	6.326	1.5822	0.8695	1.8817	-0.0662	2.7885	-0.3346	0.1254	1.0252	0.4261	0.1348	0.5053	-0.5766	-0.2421	0.1998	-0.0335	0.1796	-0.1742	-0.1845	-0.1371	0.534	66.008	121.622	26.15
22	6.7647	0.685	2.4232	3.5311	0.9813	2.1202	-0.3238	-0.7175	0.4347	0.2943	0.0606	0.7061	-0.4803	-0.4558	0.2632	-0.1086	0.1941	0.001	-0.0928	-0.1303	0.3626	60.548	113.348	29.92
23	9.2814	4.6521	-0.2823	5.2167	-0.4903	0.8693	-0.0039	0.7504	-0.0075	-0.097	0.0228	0.4389	-0.4234	-0.2147	-0.019	-0.0727	0.1235	-0.1558	-0.0023	-0.0848	0.1388	57.751	109.61	17.138
24	3.5888	0.8654	0.2053	2.2681	0.2388	0.3218	-0.1493	-0.1167	0.39	0.1729	-0.0344	0.1333	-0.2113	-0.1047	0.1836	-0.1127	0.0507	-0.1249	-0.1484	-0.0459	0.0619	78.096	109.146	27.804
25	6.7245	0.7102	1.9542	3.9996	0.33	1.6808	-0.6394	0.3503	1.1839	-0.4548	0.3013	0.2513	-0.7095	-0.2259	0.3381	0.4848	0.1201	-0.4118	0.0447	0.1149	0.9075	57.044	123.903	73.102
26	6.0254	1.1343	1.9077	3.3139	1.8024	2.4168	-0.19	0.2149	0.6943	-0.4964	0.2205	-0.1814	-0.6038	0.0669	-0.0305	0.4035	-0.0385	-0.3572	-0.0065	0.0433	0.5973	70.044	120.1	76.945
27	4.8628	-1.7077	-0.2082	2.0523	0.5494	2.8093	-0.2186	0.8229	0.5754	-0.7984	-0.0865	-0.084	-0.2754	-0.0082	0.3051	0.4746	-0.0745	-0.2031	0.0726	0.1205	0.337	67.579	108.516	67.753
28	3.5702	0.1999	-1.6525	2.0023	-0.0801	3.7836	-0.3193	0.1537	0.5089	-0.3869	-0.0593	0.3945	-0.3039	-0.5766	0.3786	0.0691	-0.0192	-0.3637	0.1603	-0.1366	0.3832	47.158	104.792	77.043
29	8.5496	-5.7319	-0.8748	5.8092	3.2041	3.574	0.1218	0.1734	-0.956	-0.305	-0.2899	0.6988	0.3581	-0.4693	0.1681	0.0943	-0.1862	-0.093	0.2142	-0.2633	0.7332	42.153	75.188	74.153
30	4.3193	-2.062	0.6298	3.6751	1.7665	3.1475	-0.1553	0.0583	0.0424	-0.0814	-0.1837	0.49	0.2351	-0.6817	0.339	0.0544	-0.1061	-0.1611	0.2949	-0.2583	0.5423	38.83	88.043	78.955
31	1.6563	-0.0857	-0.556	3.8718	-0.128	0.7463	-0.0502	0.6183	-0.2216	-0.9089	-0.2659	0.2286	-0.0598	-0.1736	0.316	0.2539	0.0666	-0.2744	0.3112	-0.1911	0.2552	50.311	89.698	67.589
32	1.6888	0.2833	0.4557	4.1755	0.9164	2.7912	0.0418	0.0367	-0.2006	-0.2423	-0.2051	0.1814	0.172	-0.0716	0.1633	0.0623	0.1101	0.0416	0.0286	-0.0947	0.1657	68.513	71.699	77.259
33	1.4343	2.2673	-1.6613	10.1045	-2.6303	2.4359	-0.0216	-0.1001	0.6053	-0.8282	-0.3662	-0.8239	0.1802	0.5076	0.3878	0.1165	0.0985	0.1863	0.3923	0.0057	0.572	91.293	84.651	71.908
34	2.3247	2.1111	-0.4223	5.8867	-2.4734	3.6296	-0.1012	-0.0049	-0.1262	-0.6545	-0.0544	-0.2554	0.017	0.6107	0.1556	0.0795	0.1658	0.1735	0.2015	-0.0237	0.2862	83.668	79.013	75.664
35	3.6686	0.7154	0.9673	3.578	1.3958	2.8005	-0.2932	0.455	0.093	-0.9269	0.0021	-0.1032	-0.2157	0.2244	0.291	0.2764	0.0618	0.0508	0.0664	-0.0263	0.0819	73.564	84.004	69.216
36	2.6442	1.0285	0.793	5.1373	1.9665	3.7009	-0.2915	0.3753	0.4127	-1.0225	0.0837	-0.398	-0.4209	0.2952	0.2078	0.3771	-0.0453	-0.0548	0.0581	0.119	0.2725	78.316	100.907	71.034

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	46 - 67
2	X-RAY DIFFRACTION	2	A	68 - 136
3	X-RAY DIFFRACTION	3	A	137 - 256
4	X-RAY DIFFRACTION	4	A	257 - 298
5	X-RAY DIFFRACTION	5	B	52 - 113
6	X-RAY DIFFRACTION	6	B	114 - 136
7	X-RAY DIFFRACTION	7	B	137 - 235
8	X-RAY DIFFRACTION	8	B	236 - 299
9	X-RAY DIFFRACTION	9	C	46 - 59
10	X-RAY DIFFRACTION	10	C	60 - 87
11	X-RAY DIFFRACTION	11	C	88 - 295
12	X-RAY DIFFRACTION	12	C	296 - 300
13	X-RAY DIFFRACTION	13	D	47 - 95
14	X-RAY DIFFRACTION	14	D	96 - 136
15	X-RAY DIFFRACTION	15	D	137 - 256
16	X-RAY DIFFRACTION	16	D	257 - 298
17	X-RAY DIFFRACTION	17	E	47 - 140
18	X-RAY DIFFRACTION	18	E	141 - 256
19	X-RAY DIFFRACTION	19	E	257 - 295
20	X-RAY DIFFRACTION	20	E	296 - 300
21	X-RAY DIFFRACTION	21	F	52 - 91
22	X-RAY DIFFRACTION	22	F	92 - 113
23	X-RAY DIFFRACTION	23	F	114 - 136
24	X-RAY DIFFRACTION	24	F	137 - 299
25	X-RAY DIFFRACTION	25	G	47 - 94
26	X-RAY DIFFRACTION	26	G	95 - 137
27	X-RAY DIFFRACTION	27	G	138 - 224
28	X-RAY DIFFRACTION	28	G	225 - 284
29	X-RAY DIFFRACTION	29	H	47 - 94
30	X-RAY DIFFRACTION	30	H	95 - 136
31	X-RAY DIFFRACTION	31	H	137 - 237
32	X-RAY DIFFRACTION	32	H	238 - 298
33	X-RAY DIFFRACTION	33	I	55 - 89
34	X-RAY DIFFRACTION	34	I	90 - 136
35	X-RAY DIFFRACTION	35	I	137 - 206
36	X-RAY DIFFRACTION	36	I	207 - 280

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