PDB-1yew: Crystal structure of particulate methane monooxygenase

ID or keywords:

Entry

Database: PDB / ID: 1yew

Title

Crystal structure of particulate methane monooxygenase

Components

(particulate methane monooxygenase, ...) x 2
particulate methane monooxygenase subunit C2

Keywords

OXIDOREDUCTASE / MEMBRANE PROTEIN / methane / beta barrel

Function / homology

Function and homology information

methane monooxygenase (particulate) / monooxygenase activity / metal ion binding / membrane
Similarity search - Function

Biological species

Methylococcus capsulatus (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.801 Å

Authors

Lieberman, R.L. / Rosenzweig, A.C.

Citation

Journal: Nature / Year: 2005
Title: Crystal structure of a membrane-bound metalloenzyme that catalyses the biological oxidation of methane.
Authors: Lieberman, R.L. / Rosenzweig, A.C.

History

Deposition	Dec 28, 2004	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 8, 2005	Provider: repository / Type: Initial release
Revision 1.1	Apr 30, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Source and taxonomy / Version format compliance
Revision 1.3	Oct 11, 2017	Group: Refinement description / Category: software / Item: _software.classification / _software.name
Revision 1.4	Feb 14, 2024	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 / pdbx_struct_conn_angle / 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_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_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_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.pdbx_dist_value / _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.ptnr2_symmetry / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_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

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ye/1yew ftp://data.pdbj.org/pub/pdb/validation_reports/ye/1yew	HTTPS FTP

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Related structure data

Similar structure data	2cv2-2 3egg-d 6c6z-1 3egh-d 2cv2-1 5idr-2 3mzw-d 2cv1-2 1n77-2 2bap-2 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	#5 - May 2000 Cytochrome c Oxidase similarity (1)

Deposited unit

A: particulate methane monooxygenase, B subunit

B: particulate methane monooxygenase, A subunit

C: particulate methane monooxygenase subunit C2

E: particulate methane monooxygenase, B subunit

F: particulate methane monooxygenase, A subunit

G: particulate methane monooxygenase subunit C2

I: particulate methane monooxygenase, B subunit

J: particulate methane monooxygenase, A subunit

K: particulate methane monooxygenase subunit C2

hetero molecules

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

1

A: particulate methane monooxygenase, B subunit

B: particulate methane monooxygenase, A subunit

C: particulate methane monooxygenase subunit C2

hetero molecules

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

2

E: particulate methane monooxygenase, B subunit

F: particulate methane monooxygenase, A subunit

G: particulate methane monooxygenase subunit C2

hetero molecules

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

3

I: particulate methane monooxygenase, B subunit

J: particulate methane monooxygenase, A subunit

K: particulate methane monooxygenase subunit C2

hetero molecules

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

4

A: particulate methane monooxygenase, B subunit

B: particulate methane monooxygenase, A subunit

C: particulate methane monooxygenase subunit C2

E: particulate methane monooxygenase, B subunit

F: particulate methane monooxygenase, A subunit

G: particulate methane monooxygenase subunit C2

I: particulate methane monooxygenase, B subunit

J: particulate methane monooxygenase, A subunit

K: particulate methane monooxygenase subunit C2

hetero molecules

A: particulate methane monooxygenase, B subunit

B: particulate methane monooxygenase, A subunit

C: particulate methane monooxygenase subunit C2

E: particulate methane monooxygenase, B subunit

F: particulate methane monooxygenase, A subunit

G: particulate methane monooxygenase subunit C2

I: particulate methane monooxygenase, B subunit

J: particulate methane monooxygenase, A subunit

K: particulate methane monooxygenase subunit C2

hetero molecules

defined by software
629 kDa, 18 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

A: particulate methane monooxygenase, B subunit

B: particulate methane monooxygenase, A subunit

C: particulate methane monooxygenase subunit C2

E: particulate methane monooxygenase, B subunit

F: particulate methane monooxygenase, A subunit

G: particulate methane monooxygenase subunit C2

I: particulate methane monooxygenase, B subunit

J: particulate methane monooxygenase, A subunit

K: particulate methane monooxygenase subunit C2

hetero molecules

A: particulate methane monooxygenase, B subunit

B: particulate methane monooxygenase, A subunit

C: particulate methane monooxygenase subunit C2

E: particulate methane monooxygenase, B subunit

F: particulate methane monooxygenase, A subunit

G: particulate methane monooxygenase subunit C2

I: particulate methane monooxygenase, B subunit

J: particulate methane monooxygenase, A subunit

K: particulate methane monooxygenase subunit C2

hetero molecules

defined by software
629 kDa, 18 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

Idetical with deposited unit
defined by software

Unit cell

Length a, b, c (Å)	264.140, 264.140, 150.005
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	94
Space group name H-M	P4₂2₁2

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	E
3	1	I
1	2	B
2	2	F
3	2	J
1	3	C
2	3	G
3	3	K
1	4	A
2	4	E
3	4	I
4	4	A
5	4	E
6	4	I

NCS domain segments:

Refine code: 1

Dom-ID	Component-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	1	HIS	HIS	MET	MET	A	A	33 - 414	1 - 382
2	1	1	HIS	HIS	MET	MET	E	D	33 - 414	1 - 382
3	1	1	HIS	HIS	MET	MET	I	G	33 - 414	1 - 382
1	1	2	ALA	ALA	LEU	LEU	B	B	7 - 244	7 - 244
2	1	2	ALA	ALA	LEU	LEU	F	E	7 - 244	7 - 244
3	1	2	ALA	ALA	LEU	LEU	J	H	7 - 244	7 - 244
1	1	3	LEU	LEU	MET	MET	C	C	45 - 259	45 - 259
2	1	3	LEU	LEU	MET	MET	G	F	45 - 259	45 - 259
3	1	3	LEU	LEU	MET	MET	K	I	45 - 259	45 - 259
1	1	4	CUA	CUA	CUA	CUA	A	L	3
2	1	4	CUA	CUA	CUA	CUA	E	S	500
3	1	4	CUA	CUA	CUA	CUA	I	V	600
4	2	4	CU	CU	CU	CU	A	J	4
5	2	4	CU	CU	CU	CU	E	O	501
6	2	4	CU	CU	CU	CU	I	U	601

NCS ensembles :

ID
1
2
3
4

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Particulate methane monooxygenase, ... , 2 types, 6 molecules AEIBFJ

#1: Protein	particulate methane monooxygenase, B subunit Mass: 42832.887 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Source: (natural) Methylococcus capsulatus (bacteria) / Strain: Bath / References: UniProt: Q49104, UniProt: G1UBD1*PLUS
#2: Protein	particulate methane monooxygenase, A subunit Mass: 28445.098 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Methylococcus capsulatus (bacteria) / Strain: str. Bath / Production host: Escherichia coli (E. coli) / References: UniProt: Q607G3

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Protein , 1 types, 3 molecules CGK

#3: Protein	particulate methane monooxygenase subunit C2 Mass: 33214.180 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Methylococcus capsulatus (bacteria) / Production host: Escherichia coli (E. coli) / References: UniProt: O05111

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Non-polymers , 3 types, 14 molecules

#4: Chemical	ChemComp-CU / COPPER (II) ION Mass: 63.546 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Cu
#5: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Zn
#6: Chemical	ChemComp-CUA / DINUCLEAR COPPER ION Mass: 127.092 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Cu₂

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 4.4 Å³/Da / Density % sol: 70 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 6 Details: PEG 8000, zinc acetate, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 5ID-B / Wavelength: 1.377, 1.280

Detector

Type: MARRESEARCH / Detector: CCD / Date: Aug 13, 2003

Radiation

Monochromator: Si(111) double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	1.377	1
2	1.28	1

Reflection

Resolution: 2.8→30 Å / Num. all: 118268 / Num. obs: 118268 / % possible obs: 91.1 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 3.4 % / R_sym value: 0.095 / Net I/σ(I): 7.7

Reflection shell

Resolution: 2.8→2.874 Å / R_sym value: 0.612

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0005	refinement
MAR345		data collection
XDS		data scaling
SOLVE		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.801→29.55 Å / Cor.coef. F_o:F_c: 0.884 / Cor.coef. F_o:F_c free: 0.859 / SU B: 51.575 / SU ML: 0.397 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.616 / ESU R Free: 0.372 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.30157	5932	5 %	RANDOM
R_work	0.27153	-	-	-
obs	0.27303	112261	91.2 %	-

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: 69.985 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	1.34 Å²	0 Å²	0 Å²
2-	-	1.34 Å²	0 Å²
3-	-	-	-2.68 Å²

Refinement step

Cycle: LAST / Resolution: 2.801→29.55 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	19755	0	17	0	19772

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.02	0.022	20436
X-RAY DIFFRACTION	r_angle_refined_deg	2.074	1.925	27897
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	10.165	5	2412
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	36.14	22.164	915
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	23.693	15	3093
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.17	15	132
X-RAY DIFFRACTION	r_chiral_restr	0.165	0.2	2988
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	15717
X-RAY DIFFRACTION	r_nbd_refined	0.285	0.2	11351
X-RAY DIFFRACTION	r_nbtor_refined	0.343	0.2	14000
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.196	0.2	779
X-RAY DIFFRACTION	r_metal_ion_refined	0.25	0.2	13
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.585	0.2	44
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.299	0.2	6
X-RAY DIFFRACTION	r_mcbond_it	0.391	1.5	12269
X-RAY DIFFRACTION	r_mcangle_it	0.652	2	19563
X-RAY DIFFRACTION	r_scbond_it	1.064	3	9774
X-RAY DIFFRACTION	r_scangle_it	1.659	4.5	8334

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	3018	tight positional	0.07	0.05
1	2	E	3018	tight positional	0.07	0.05
1	3	I	3018	tight positional	0.07	0.05
2	1	B	1955	tight positional	0.05	0.05
2	2	F	1955	tight positional	0.05	0.05
2	3	J	1955	tight positional	0.05	0.05
3	1	C	1612	tight positional	0.05	0.05
3	2	G	1612	tight positional	0.04	0.05
3	3	K	1612	tight positional	0.04	0.05
4	4	A	3	tight positional	0.08	0.05
4	4	B	3	tight positional	0.05	0.05
4	4	C	3	tight positional	0.08	0.05
1	1	A	3018	tight thermal	0.11	0.5
1	2	E	3018	tight thermal	0.11	0.5
1	3	I	3018	tight thermal	0.11	0.5
2	1	B	1955	tight thermal	0.09	0.5
2	2	F	1955	tight thermal	0.09	0.5
2	3	J	1955	tight thermal	0.1	0.5
3	1	C	1612	tight thermal	0.07	0.5
3	2	G	1612	tight thermal	0.07	0.5
3	3	K	1612	tight thermal	0.07	0.5
4	4	A	3	tight thermal	0.43	0.5
4	4	B	3	tight thermal	0.19	0.5
4	4	C	3	tight thermal	0.59	0.5

LS refinement shell

Resolution: 2.801→2.874 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.492	227	-
R_work	0.509	4067	-
obs	-	-	45.6 %

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	1.3082	-1.2905	1.1848	5.7215	-1.0348	2.4808	-0.0315	-0.0393	-0.1352	0.0422	-0.0949	0.0848	-0.1651	0.4914	0.1263	-0.4454	0.0235	0.0462	-0.1423	0.0331	-0.499	30.7932	124.136	75.4936
2	4.2467	-0.0421	0.5678	1.1636	-0.2559	1.3026	-0.0336	-0.0248	-0.8195	-0.0493	-0.027	-0.3012	0.3586	0.253	0.0606	-0.1342	0.1478	-0.0385	-0.3213	0.0925	-0.2487	60.2092	100.8264	66.603
3	4.7545	-0.8462	-1.0502	4.3998	-1.3078	2.8206	0.1002	-0.2404	0.0792	0.513	0.062	0.3774	-0.2973	-0.2046	-0.1622	-0.1966	0.068	0.0481	-0.3072	0.0125	-0.4875	19.5019	145.223	76.8662
4	2.451	1.964	0.0576	4.4225	1.6836	4.3985	-0.0584	0.023	0.214	-0.0885	-0.0912	-0.1671	-0.2344	0.1294	0.1495	-0.3952	0.0297	-0.0587	-0.3454	0.1066	-0.4874	28.4873	155.3597	42.3599
5	3.242	-0.0762	-0.727	1.2478	0.2441	1.5433	0.0879	-0.5679	0.8313	0.2541	0.0398	-0.6859	-0.1648	0.4757	-0.1277	-0.1262	-0.1582	-0.1214	-0.2915	-0.0029	0.0206	61.6025	160.415	61.4698
6	6.5203	-0.9734	0.08	3.8648	0.9011	3.279	0.0373	0.245	0.0239	-0.2026	-0.1332	0.0902	-0.009	-0.2669	0.096	-0.3826	-0.0263	-0.0817	-0.3433	0.0289	-0.5705	14.4031	145.6103	25.6086
7	0.6037	-1.3364	-0.3474	3.0175	0.1572	6.535	0.0948	-0.0528	-0.0635	-0.0435	0.1322	0.0079	0.5002	-0.1495	-0.227	-0.4379	-0.1274	-0.0445	-0.3375	-0.0193	-0.3231	26.0759	111.25	32.1819
8	3.5358	-1.0472	0.6382	1.1355	-0.0298	1.2324	0.0308	0.9471	0.3563	-0.3687	-0.1476	-0.4389	0.1275	0.558	0.1168	-0.2811	0.0126	0.1051	0.1111	0.0267	-0.2999	55.7861	126.3618	12.783
9	7.3547	-0.8533	1.286	2.0208	-0.5897	6.6339	0.087	-0.0988	-0.3452	0.2054	0.3238	0.4508	0.7733	-0.6398	-0.4108	-0.249	-0.2155	-0.014	-0.3324	0.1497	-0.2503	15.4496	101.1806	51.147
10	6.3451	0.8889	-0.5319	0.546	-0.1414	0.5263	0.0492	0.4869	0.5756	0.0334	0.0797	-0.2794	-0.1794	0.0883	-0.1289	-0.2017	0.1973	-0.0264	-0.0891	0.106	-0.1391	62.1456	112.3543	65.0102
11	5.7966	-1.3635	-1.5363	0.5917	0.369	1.1824	-0.0849	0.5435	-0.4735	-0.2202	-0.0735	-0.2583	0.1025	0.3736	0.1584	-0.1233	-0.1412	-0.0969	-0.059	0.0618	0.0423	62.1651	153.3745	52.0222
12	6.0166	-0.6766	1.3938	0.4542	-0.2612	0.8726	-0.036	-0.5756	0.0168	0.1137	-0.1196	-0.4094	0.3595	0.3419	0.1556	-0.2214	0.0027	0.1318	0.1586	-0.0057	-0.2145	58.3702	121.7471	23.3263
13	2.4356	-1.5539	1.4366	2.796	0.3012	2.5404	-0.2345	-0.6743	0.4261	0.6466	0.2543	-0.1991	-0.1412	-0.1639	-0.0198	-0.0557	0.0644	-0.1669	-0.0277	-0.0134	0.0323	70.1719	129.0438	81.4311
14	3.3234	1.5259	-0.4875	1.7317	0.1348	3.9493	-0.0858	0.5955	0.5869	-0.4473	0.0544	0.1084	-0.3237	0.273	0.0315	-0.0123	-0.1998	0.0621	0.2418	0.1711	0.2383	65.8449	159.6183	28.3585
15	1.1098	-0.4343	-1.2721	3.0024	-0.6781	3.3356	-0.1835	0.2029	-0.6143	-0.1512	-0.018	-0.0207	0.7942	-0.0013	0.2015	-0.0065	0.2451	0.0539	0.2337	-0.1401	-0.0229	63.9075	98.2828	28.9369
16	15.1931	-1.2785	-6.1482	2.2611	2.5588	5.739	0.3879	2.5976	1.9189	-0.959	-0.7332	-1.4174	0.7646	1.099	0.3453	0.052	0.0125	0.0583	0.2415	0.0953	0.4603	89.6672	115.29	67.6779
17	12.5704	-9.4814	-1.9925	7.9777	-1.2355	9.3913	-1.2635	3.7385	-1.7908	2.2485	1.2574	-1.7803	0.2141	1.3701	0.0062	0.3143	-0.0467	0.0572	0.5619	0.0542	0.5073	88.5218	155.3125	43.378
18	11.4031	1.3615	4.2341	4.5403	0.335	1.5788	0.3269	-2.0617	0.5523	-0.3687	-0.3588	-1.3098	-1.3434	2.3363	0.032	0.1871	0.2396	0.1478	0.5572	0.2712	0.5486	85.0593	114.2014	21.3442

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	33 - 168	1 - 136
2	X-RAY DIFFRACTION	2	A	A	169 - 275	137 - 243
3	X-RAY DIFFRACTION	3	A	A	276 - 414	244 - 382
4	X-RAY DIFFRACTION	4	E	D	33 - 168	1 - 136
5	X-RAY DIFFRACTION	5	E	D	169 - 275	137 - 243
6	X-RAY DIFFRACTION	6	E	D	276 - 414	244 - 382
7	X-RAY DIFFRACTION	7	I	G	33 - 168	1 - 136
8	X-RAY DIFFRACTION	8	I	G	169 - 275	137 - 243
9	X-RAY DIFFRACTION	9	I	G	276 - 414	244 - 382
10	X-RAY DIFFRACTION	10	B	B	7 - 244	7 - 244
11	X-RAY DIFFRACTION	11	F	E	7 - 244	7 - 244
12	X-RAY DIFFRACTION	12	J	H	7 - 244	7 - 244
13	X-RAY DIFFRACTION	13	C	C	45 - 169	45 - 169
14	X-RAY DIFFRACTION	14	G	F	45 - 169	45 - 169
15	X-RAY DIFFRACTION	15	K	I	45 - 169	45 - 169
16	X-RAY DIFFRACTION	16	C	C	192 - 259	192 - 259
17	X-RAY DIFFRACTION	17	G	F	192 - 259	192 - 259
18	X-RAY DIFFRACTION	18	K	I	192 - 259	192 - 259

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