PDB-5n4c: Prolyl oligopeptidase B from Galerina marginata bound to 35mer hy...

ID or keywords:

Entry

Database: PDB / ID: 5n4c

Title

Prolyl oligopeptidase B from Galerina marginata bound to 35mer hydrolysis and macrocyclization substrate - S577A mutant

Components

Alpha-amanitin proprotein
Prolyl oligopeptidase

Keywords

HYDROLASE / amanitin biosynthesis / prolyl oligopeptidase / macrocyclase / peptidase / beta-propeller / closed form

Function / homology

Function and homology information

prolyl oligopeptidase / oligopeptidase activity / toxin activity / serine-type endopeptidase activity / proteolysis / cytosol
Similarity search - Function

Biological species

Galerina marginata (fungus)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.19 Å

Authors

Czekster, C.M. / McMahon, S.A. / Ludewig, H. / Naismith, J.H.

Funding support

United Kingdom, 1items

Citation

Journal: Nat Commun / Year: 2017
Title: Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates.
Authors: Czekster, C.M. / Ludewig, H. / McMahon, S.A. / Naismith, J.H.

History

Deposition	Feb 10, 2017	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 1, 2017	Provider: repository / Type: Initial release
Revision 1.1	Nov 8, 2017	Group: Database references / Derived calculations Category: citation / pdbx_struct_assembly ...citation / pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2	Oct 16, 2019	Group: Data collection / Category: reflns_shell
Revision 1.3	May 8, 2024	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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	5n4c.cif.gz	1.2 MB	Display	PDBx/mmCIF format
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Validation report

Summary document	5n4c_validation.pdf.gz	492 KB	Display	wwPDB validaton report
Full document	5n4c_full_validation.pdf.gz	498.5 KB	Display
Data in XML	5n4c_validation.xml.gz	106.2 KB	Display
Data in CIF	5n4c_validation.cif.gz	155.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/n4/5n4c ftp://data.pdbj.org/pub/pdb/validation_reports/n4/5n4c	HTTPS FTP

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Related structure data

Related structure data	5n4bC 5n4dC 5n4eC 5n4fC C: citing same article (ref.)
Similar structure data	5n4d-2 1vz2-d 7ne7-d 6tf5-d 5n4d-1 5olj-d 5n4b-2 2d5l-d 4bp9-3 7ne5-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) 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

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	#202 - Oct 2016 Dipeptidyl Peptidase 4 similarity (4)

Deposited unit

A: Prolyl oligopeptidase

E: Alpha-amanitin proprotein

B: Prolyl oligopeptidase

C: Prolyl oligopeptidase

D: Prolyl oligopeptidase

F: Alpha-amanitin proprotein

G: Alpha-amanitin proprotein

H: Alpha-amanitin proprotein

hetero molecules

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

1

A: Prolyl oligopeptidase

E: Alpha-amanitin proprotein

defined by author&software
85.7 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Prolyl oligopeptidase

F: Alpha-amanitin proprotein

defined by author&software
85.7 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Prolyl oligopeptidase

G: Alpha-amanitin proprotein

defined by author&software
85.7 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: Prolyl oligopeptidase

H: Alpha-amanitin proprotein

hetero molecules

defined by author&software
85.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	100.797, 142.562, 116.356
Angle α, β, γ (deg.)	90.00, 90.29, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: _ / Refine code: _

Dom-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	TRP	TRP	GLU	GLU	A	A	6 - 725	6 - 725
2	1	TRP	TRP	GLU	GLU	B	C	6 - 725	6 - 725
1	2	TRP	TRP	LYS	LYS	A	A	6 - 727	6 - 727
2	2	TRP	TRP	LYS	LYS	C	D	6 - 727	6 - 727
1	3	ALA	ALA	GLU	GLU	A	A	7 - 725	7 - 725
2	3	ALA	ALA	GLU	GLU	D	E	7 - 725	7 - 725
1	4	ASP	ASP	CYS	CYS	E	B	3 - 35	3 - 35
2	4	ASP	ASP	CYS	CYS	F	F	3 - 35	3 - 35
1	5	ASP	ASP	CYS	CYS	E	B	3 - 35	3 - 35
2	5	ASP	ASP	CYS	CYS	G	G	3 - 35	3 - 35
1	6	ASP	ASP	CYS	CYS	E	B	3 - 35	3 - 35
2	6	ASP	ASP	CYS	CYS	H	H	3 - 35	3 - 35
1	7	TRP	TRP	LEU	LEU	B	C	6 - 726	6 - 726
2	7	TRP	TRP	LEU	LEU	C	D	6 - 726	6 - 726
1	8	ALA	ALA	GLU	GLU	B	C	7 - 725	7 - 725
2	8	ALA	ALA	GLU	GLU	D	E	7 - 725	7 - 725
1	9	ALA	ALA	GLU	GLU	C	D	7 - 725	7 - 725
2	9	ALA	ALA	GLU	GLU	D	E	7 - 725	7 - 725
1	10	ASP	ASP	CYS	CYS	F	F	3 - 35	3 - 35
2	10	ASP	ASP	CYS	CYS	G	G	3 - 35	3 - 35
1	11	ASP	ASP	CYS	CYS	F	F	3 - 35	3 - 35
2	11	ASP	ASP	CYS	CYS	H	H	3 - 35	3 - 35
1	12	ASP	ASP	CYS	CYS	G	G	3 - 35	3 - 35
2	12	ASP	ASP	CYS	CYS	H	H	3 - 35	3 - 35

NCS ensembles :

ID
1
2
3
4
5
6
7
8
9
10
11
12

#1: Protein	Prolyl oligopeptidase Mass: 81860.602 Da / Num. of mol.: 4 / Mutation: S577A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Galerina marginata (fungus) / Gene: POPB / Plasmid: pJ414 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: H2E7Q8
#2: Protein/peptide	Alpha-amanitin proprotein Mass: 3850.276 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) Galerina marginata (fungus) / References: UniProt: H2E7Q5, UniProt: A0A067SLB9*PLUS
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1196 / 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: 2.44 Å³/Da / Density % sol: 49.64 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, hanging drop / pH: 8.7 Details: 28% PEG6000, 100 mM Bicine pH 8.7, 64 mM Sodium Potassium Phosphate, 12.5mM Hexammine cobalt chloride, crystals cryoprotected with 12% glycerol

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I04-1 / Wavelength: 0.92 Å
Detector	Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Aug 1, 2016
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.92 Å / Relative weight: 1
Reflection	Resolution: 2.19→90.14 Å / Num. obs: 163136 / % possible obs: 96.77 % / Redundancy: 2 % / Net I/σ(I): 6.7

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0155	refinement
xia2		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.19→90.14 Å / Cor.coef. F_o:F_c: 0.944 / Cor.coef. F_o:F_c free: 0.927 / SU B: 14.657 / SU ML: 0.184 / Cross valid method: THROUGHOUT / ESU R: 0.326 / ESU R Free: 0.226 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.24944	7959	4.9 %	RANDOM
R_work	0.21391	-	-	-
obs	0.21562	155177	96.77 %	-

Solvent computation

Ion probe radii: 0.7 Å / Shrinkage radii: 0.7 Å / VDW probe radii: 1.1 Å

Displacement parameters

B_iso mean: 32.215 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	2.03 Å²	0 Å²	0.11 Å²
2-	-	-3.17 Å²	0 Å²
3-	-	-	1.14 Å²

Refinement step

Cycle: 1 / Resolution: 2.19→90.14 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	23876	0	6	1196	25078

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.012	0.019	24561
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	22570
X-RAY DIFFRACTION	r_angle_refined_deg	1.423	1.937	33376
X-RAY DIFFRACTION	r_angle_other_deg	0.961	3	52005
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.124	5	3010
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	34.053	24.217	1188
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.302	15	3897
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	14.672	15	122
X-RAY DIFFRACTION	r_chiral_restr	0.09	0.2	3526
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.021	28178
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	5892
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	1.118	1.285	12052
X-RAY DIFFRACTION	r_mcbond_other	1.118	1.285	12051
X-RAY DIFFRACTION	r_mcangle_it	1.879	1.921	15046
X-RAY DIFFRACTION	r_mcangle_other	1.879	1.921	15047
X-RAY DIFFRACTION	r_scbond_it	1.414	1.414	12509
X-RAY DIFFRACTION	r_scbond_other	1.414	1.414	12509
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	2.293	2.058	18327
X-RAY DIFFRACTION	r_long_range_B_refined	4.772	15.01	26032
X-RAY DIFFRACTION	r_long_range_B_other	4.772	15.009	26032
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 / Type: interatomic distance / Weight position: 0.05

Ens-ID	Dom-ID	Auth asym-ID	Number	Rms dev position (Å)
1	1	A	45522	0.06
1	2	B	45522	0.06
2	1	A	45592	0.06
2	2	C	45592	0.06
3	1	A	45396	0.06
3	2	D	45396	0.06
4	1	E	1456	0.08
4	2	F	1456	0.08
5	1	E	1536	0.09
5	2	G	1536	0.09
6	1	E	1538	0.07
6	2	H	1538	0.07
7	1	B	45578	0.07
7	2	C	45578	0.07
8	1	B	45420	0.06
8	2	D	45420	0.06
9	1	C	45460	0.06
9	2	D	45460	0.06
10	1	F	1470	0.08
10	2	G	1470	0.08
11	1	F	1502	0.04
11	2	H	1502	0.04
12	1	G	1620	0.07
12	2	H	1620	0.07

LS refinement shell

Resolution: 2.19→2.247 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.32	612	-
R_work	0.3	11265	-
obs	-	-	95.91 %

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	0.5422	-0.0795	-0.2617	1.4446	-0.9031	1.6074	-0.0467	-0.1296	-0.159	0.0226	-0.0669	-0.2067	0.2079	0.2787	0.1136	0.0788	0.0143	-0.0444	0.4341	-0.0103	0.1434	50.806	6.327	46.379
2	1.2319	0.0762	-0.0411	0.5622	0.105	0.9955	0.0476	-0.1204	0.1186	-0.0092	0.0022	-0.0494	-0.1225	0.0321	-0.0499	0.0348	0.0168	0.0173	0.2886	-0.0099	0.0916	34.494	41.844	45.828
3	0.9108	-0.1622	-0.0489	0.805	-0.3824	1.7749	-0.0028	-0.0401	-0.0398	0.078	0.0627	0.0041	0	-0.0293	-0.0599	0.0179	0.0034	-0.0263	0.3004	-0.0036	0.0703	35.907	10.987	39.465
4	1.8794	1.1542	0.7876	5.3366	1.6346	1.5165	-0.0236	0.0324	-0.0954	-0.0184	0.0289	-0.033	-0.0735	0.0103	-0.0053	0.0733	0.0184	-0.0032	0.3311	0.0086	0.0941	50.87	15.912	32.583
5	1.0136	-0.056	0.1799	1.4466	0.2597	0.7272	0.0486	-0.0506	0.025	-0.006	0.045	0.2107	-0.0628	-0.1186	-0.0937	0.017	-0.0135	0.026	0.3504	0.0396	0.0844	12.07	45.479	-17.114
6	1.3911	0.0299	0.1514	0.718	-0.1595	0.9982	0.0633	-0.1849	-0.1739	0.0157	-0.0035	0.0827	0.0338	-0.0451	-0.0599	0.0059	0.0056	-0.0163	0.288	0.0111	0.112	28.792	27.303	-10.371
7	1.1133	-0.0991	0.0577	0.7173	0.1781	1.4937	0.0098	-0.0352	0.164	0.0702	0.075	0.049	-0.1095	0.0278	-0.0848	0.028	-0.006	0.0413	0.2643	0.0056	0.1034	25.603	57.389	-18.619
8	2.7397	0.7959	0.1482	4.5495	0.4576	0.4228	0.0152	-0.1489	0.0568	0.2414	0.0407	0.0313	0.0127	0.0186	-0.0559	0.0879	0.0265	-0.0017	0.3342	0.0107	0.1258	9.921	51.682	-22.751
9	0.9947	0.3001	0.3033	1.3622	-0.4657	0.611	-0.0012	0.114	0.0066	-0.0562	0.0166	-0.2192	-0.0251	0.1248	-0.0154	0.0222	0.0433	0.0235	0.3739	-0.0483	0.0995	-0.823	51.572	25.732
10	1.2156	0.0729	0.2816	0.7083	0.2719	0.9571	0.0946	0.1565	-0.2242	0.0461	0.013	-0.1145	0.0971	0.0901	-0.1077	0.0242	0.0122	-0.0414	0.3029	-0.0339	0.1136	-16.862	26.606	22.116
11	1.0207	0.3774	-0.086	0.855	-0.2704	1.484	-0.0185	0.0614	0.0195	-0.045	0.0274	-0.0257	0.0506	0.0107	-0.009	0.0059	0.0172	0.0084	0.2541	-0.0142	0.0606	-14.337	56.812	29.146
12	3.3807	-3.5249	-0.863	9.4042	1.4473	1.4043	0.0379	-0.1093	0.1467	0.0963	0.0907	-0.1802	0.0112	0.0355	-0.1287	0.0409	-0.0133	-0.0147	0.2451	-0.0036	0.1054	0.671	53.775	38.929
13	0.7532	0.1035	-0.0329	1.3794	0.2433	0.8389	0.0571	0.0797	-0.0508	-0.0713	-0.0008	0.1551	0.1173	-0.0688	-0.0563	0.0342	0.0136	-0.034	0.4048	0.0226	0.0607	-38.957	20.474	84.514
14	1.1031	-0.0817	0.0027	0.7264	-0.0978	0.9877	0.0358	0.1299	0.1115	-0.0364	-0.0212	0.0401	-0.0485	-0.0222	-0.0146	0.0082	-0.0148	0.0085	0.3061	0.0253	0.0699	-22.973	41.979	79.424
15	1.0481	0.2257	0.1447	0.7912	0.2166	1.6025	0.0367	0.0701	-0.0821	-0.1096	0.0239	0.0291	0.1001	0.0531	-0.0606	0.0329	0.0181	-0.0251	0.2873	0.0076	0.0617	-25.476	11.856	87.846
16	2.5087	-1.2764	1.1466	7.6658	-2.1714	2.1262	0.0239	0.1384	-0.0326	-0.2352	-0.0018	0.1633	0.0697	0.0368	-0.0221	0.0149	-0.0162	0.0126	0.2989	-0.0107	0.1127	-41.007	17.476	91.673
17	2.0267	0.7962	2.1333	7.0006	2.449	2.6478	-0.2554	0.053	0.4527	-0.3863	-0.0613	-0.0953	-0.3305	0.0658	0.3167	0.4465	0.0768	0.0502	0.5678	0.0423	0.401	36.583	27	47.199
18	1.795	-4.4228	1.9412	13.5853	-3.0052	3.2779	0.3446	0.1965	0.2884	-0.7924	-0.4537	-0.9609	0.4563	0.2771	0.1091	0.2922	-0.0348	0.0828	0.5699	-0.0462	0.379	41.45	23.903	35.891
19	6.4742	-1.8993	-3.3146	10.9314	7.3855	8.4127	-0.4157	0.0283	-0.084	0.8684	0.0826	0.2441	0.5954	-0.1784	0.3332	0.0946	0.0371	0.0209	0.268	0.045	0.0945	39.936	39.333	37.914
20	4.2464	-3.0354	2.0329	14.4024	2.9874	3.2699	-0.1589	-0.0652	-0.8734	-0.2179	0.5463	-0.0119	0.2231	0.2456	-0.3874	0.341	-0.0005	0.1415	0.4904	-0.0363	0.4085	26.125	40.457	-8.322
21	2.8472	2.3306	-3.8789	13.8206	3.2016	8.7098	0.0976	0.2648	-0.096	0.5126	-0.4055	0.4495	0.0445	-0.6609	0.3079	0.2598	-0.0767	-0.0357	0.5876	0.0176	0.5376	20.201	43.744	-19.973
22	2.4821	-2.4792	4.0406	7.6332	-5.0734	7.1458	-0.1807	-0.0301	0.1465	0.4984	-0.1076	-0.0613	-0.5418	0.2814	0.2883	0.2022	-0.0544	-0.0208	0.3189	0.0015	0.1816	21.39	29.236	-20.64
23	1.0914	1.1423	1.2763	16.5768	-1.8303	2.1792	0.2299	-0.027	-0.069	0.16	0.0053	0.5729	0.4152	-0.1226	-0.2353	0.3567	-0.0471	0.0319	0.4863	0.0051	0.2485	-15.309	40.909	18.558
24	3.3687	-5.0846	-0.4735	14.9041	-2.7698	5.3659	-0.223	0.041	-0.3563	-0.3163	0.1635	-0.3126	0.3027	-0.164	0.0595	0.2327	-0.024	0.0152	0.5693	-0.0044	0.5161	-9.66	42.416	30.07
25	7.4417	2.6205	4.244	6.8486	5.6217	7.2319	-0.1144	-0.038	0.1596	-0.5447	-0.1447	0.137	-0.4112	-0.2594	0.2591	0.1325	0.0345	-0.0535	0.263	0.0079	0.1553	-10.518	28.764	31.082
26	11.4979	-2.9041	-6.0016	0.7397	1.5267	3.1529	0.0292	-0.3112	0.4188	-0.0566	0.1236	-0.0831	-0.0918	0.225	-0.1528	0.5202	-0.0947	-0.1684	0.5628	0.0593	0.2169	-24.902	27.696	76.674
27	5.6958	-2.6338	1.0762	12.7249	3.0601	1.3702	-0.2001	-0.5008	0.3747	-1.2799	0.1793	0.4425	-0.5341	-0.1449	0.0208	0.3752	0.0347	0.1192	0.6328	0.0528	0.654	-30.546	26.252	88.053
28	4.9318	5.2419	-2.6738	10.5207	-8.3692	7.8593	-0.3122	0.0651	-0.1811	-0.3653	0.0582	-0.478	0.245	-0.2092	0.254	0.1239	0.0217	0.0201	0.3149	0.0248	0.1956	-29.756	40.062	89.028

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	4 - 82
2	X-RAY DIFFRACTION	2	A	83 - 450
3	X-RAY DIFFRACTION	3	A	451 - 696
4	X-RAY DIFFRACTION	4	A	697 - 727
5	X-RAY DIFFRACTION	5	B	6 - 133
6	X-RAY DIFFRACTION	6	B	134 - 449
7	X-RAY DIFFRACTION	7	B	450 - 693
8	X-RAY DIFFRACTION	8	B	694 - 726
9	X-RAY DIFFRACTION	9	C	6 - 108
10	X-RAY DIFFRACTION	10	C	109 - 451
11	X-RAY DIFFRACTION	11	C	452 - 700
12	X-RAY DIFFRACTION	12	C	701 - 728
13	X-RAY DIFFRACTION	13	D	7 - 117
14	X-RAY DIFFRACTION	14	D	118 - 448
15	X-RAY DIFFRACTION	15	D	449 - 693
16	X-RAY DIFFRACTION	16	D	694 - 726
17	X-RAY DIFFRACTION	17	E	3 - 18
18	X-RAY DIFFRACTION	18	E	19 - 25
19	X-RAY DIFFRACTION	19	E	26 - 35
20	X-RAY DIFFRACTION	20	F	2 - 11
21	X-RAY DIFFRACTION	21	F	12 - 25
22	X-RAY DIFFRACTION	22	F	26 - 35
23	X-RAY DIFFRACTION	23	G	3 - 11
24	X-RAY DIFFRACTION	24	G	12 - 25
25	X-RAY DIFFRACTION	25	G	26 - 35
26	X-RAY DIFFRACTION	26	H	3 - 11
27	X-RAY DIFFRACTION	27	H	12 - 25
28	X-RAY DIFFRACTION	28	H	26 - 35

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