PDB-4ar8: Crystal structure of the peptidase domain of collagenase T from C...

ID or keywords:

Entry

Database: PDB / ID: 4ar8

Title

Crystal structure of the peptidase domain of collagenase T from Clostridium tetani complexed with the peptidic inhibitor isoamyl- phosphonyl-Gly-Pro-Ala at 2.05 angstrom resolution.

Components

COLLAGENASE COLT
ISOAMYL-PHOSPHONYL-GLY-PRO-ALA

Keywords

HYDROLASE/INHIBITOR / HYDROLASE-INHIBITOR COMPLEX / COLLAGENOLYSIS / METALLOPROTEASE / PEPTIDASE / HYDROLASE

Function / homology

Function and homology information

microbial collagenase / metalloendopeptidase activity / endopeptidase activity / calcium ion binding / proteolysis / extracellular region / zinc ion binding
Similarity search - Function

Biological species

CLOSTRIDIUM TETANI (bacteria)
SYNTHETIC CONSTRUCT (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.05 Å

Authors

Eckhard, U. / Brandstetter, H.

Citation

Journal: J.Biol.Chem. / Year: 2013
Title: Structural Basis for Activity Regulation and Substrate Preference of Clostridial Collagenases G, H, and T.
Authors: Eckhard, U. / Schonauer, E. / Brandstetter, H.

History

Deposition	Apr 21, 2012	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jun 5, 2013	Provider: repository / Type: Initial release
Revision 1.1	Jul 31, 2013	Group: Database references
Revision 1.2	Jan 8, 2014	Group: Derived calculations / Other
Revision 1.3	Dec 21, 2016	Group: Source and taxonomy
Revision 1.4	Dec 20, 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 / pdbx_struct_conn_angle / struct_conn / struct_conn_type / 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 / _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_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_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_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.5	Nov 20, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	4ar8_validation.pdf.gz	444.9 KB	Display	wwPDB validaton report
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Data in CIF	4ar8_validation.cif.gz	44.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ar/4ar8 ftp://data.pdbj.org/pub/pdb/validation_reports/ar/4ar8	HTTPS FTP

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Related structure data

Related structure data	4aqoC 4ar1C 4ar9C 4areC 4arfC 2y3uS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	5exw-2 4fmx-2 4fyz-2 3bdz-1 1mq0-1 4f3w-d 4l77-1 4fmx-1 1t2b-1 7nqu-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) 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

Deposited unit

A: COLLAGENASE COLT

B: COLLAGENASE COLT

C: ISOAMYL-PHOSPHONYL-GLY-PRO-ALA

D: ISOAMYL-PHOSPHONYL-GLY-PRO-ALA

hetero molecules

92.5 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: COLLAGENASE COLT

C: ISOAMYL-PHOSPHONYL-GLY-PRO-ALA

hetero molecules

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

2

B: COLLAGENASE COLT

D: ISOAMYL-PHOSPHONYL-GLY-PRO-ALA

hetero molecules

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

Unit cell

Length a, b, c (Å)	74.420, 102.080, 102.480
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	COLLAGENASE COLT Mass: 45750.816 Da / Num. of mol.: 2 / Fragment: PEPTIDASE DOMAIN, RESIDUES 340-730 Source method: isolated from a genetically manipulated source Source: (gene. exp.) CLOSTRIDIUM TETANI (bacteria) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q899Y1
#2: Protein/peptide	ISOAMYL-PHOSPHONYL-GLY-PRO-ALA Mass: 391.356 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) SYNTHETIC CONSTRUCT (others)
#3: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#4: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Ca
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 280 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.15 Å³/Da / Density % sol: 42.78 % / Description: NONE
Crystal grow	pH: 6.5 / Details: 25% PEG 3350, 0.1 M NACL, 0.1 M MES PH 6.5

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 0.8856
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Sep 10, 2011
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.8856 Å / Relative weight: 1
Reflection	Resolution: 2.05→45.7 Å / Num. obs: 48639 / % possible obs: 98.1 % / Observed criterion σ(I): 2 / Redundancy: 4 % / B_iso Wilson estimate: 26.9 Å² / R_merge(I) obs: 0.11 / Net I/σ(I): 6
Reflection shell	Resolution: 2.05→2.16 Å / Redundancy: 4 % / R_merge(I) obs: 0.59 / Mean I/σ(I) obs: 2 / % possible all: 98.5

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Processing

Software

Name	Version	Classification
REFMAC	5.6.0117	refinement
MOSFLM		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2Y3U

2y3u

Resolution: 2.05→45.75 Å / Cor.coef. F_o:F_c: 0.953 / Cor.coef. F_o:F_c free: 0.932 / SU B: 11.714 / SU ML: 0.13 / Cross valid method: THROUGHOUT / ESU R Free: 0.045 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.26793	2453	5.1 %	RANDOM
R_work	0.21765	-	-	-
obs	0.22013	46113	97.62 %	-

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: 31.109 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	15.93 Å²	0 Å²	0 Å²
2-	-	-37.79 Å²	0 Å²
3-	-	-	21.86 Å²

Refinement step

Cycle: LAST / Resolution: 2.05→45.75 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6279	0	4	280	6563

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.005	0.02	6468
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	4256
X-RAY DIFFRACTION	r_angle_refined_deg	0.864	1.942	8743
X-RAY DIFFRACTION	r_angle_other_deg	0.833	3	10354
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.436	5	782
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	32.235	24.846	324
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.138	15	1039
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	23.245	15	18
X-RAY DIFFRACTION	r_chiral_restr	0.052	0.2	915
X-RAY DIFFRACTION	r_gen_planes_refined	0.003	0.02	7301
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	1384
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
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it
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	3		10724
X-RAY DIFFRACTION	r_sphericity_free	28.603	5	94
X-RAY DIFFRACTION	r_sphericity_bonded	17.72		10738

LS refinement shell

Resolution: 2.049→2.102 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.445	177	-
R_work	0.339	3331	-
obs	-	-	96.77 %

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	0.0071	0.0384	-0.0075	0.2202	-0.0237	0.0322	-0.0094	-0.0017	-0.0002	-0.0357	0.0095	0.0047	0.0161	0.031	-0.0002	0.0232	0.003	-0.0007	0.0415	0.0035	0.026	19.3707	28.4401	-49.0197
2	0.067	0.0525	-0.0106	0.1675	-0.0397	0.0112	0.008	0.0089	0.0028	-0.0116	0.0012	0.0085	0.0059	-0.0029	-0.0092	0.0263	0.0023	0.0023	0.0336	-0.0014	0.0272	28.2609	15.534	-44.4907
3	0.2326	0.1414	-0.2772	0.4138	-0.335	0.4149	0.0037	-0.002	0.0004	-0.0024	-0.0094	-0.0151	-0.0033	0.0032	0.0057	0.0239	0.0001	-0.0004	0.0352	0.0006	0.0283	36.3308	11.3149	-41.054
4	0.0004	-0.0007	-0.0004	0.0012	0.0006	0.0004	-0.0012	-0.0011	0.0017	0.0052	0.0018	-0.002	0.0023	0	-0.0007	0.026	0.0001	0.0008	0.0348	0.0013	0.029	28.4326	6.1122	-25.0092
5	0.0017	0.0249	-0.0016	0.4063	-0.0295	0.0055	0.0016	-0.0027	-0.0001	-0.0047	-0.0002	-0.0008	0.0102	0.0001	-0.0014	0.0294	0.0001	-0.0041	0.0381	0.0016	0.0258	14.3755	12.406	-28.9429
6	0.0672	-0.0269	-0.0236	0.011	0.0099	0.0092	0.0041	0.0053	0.0079	-0.0015	0.0005	-0.0052	0.0009	0.0018	-0.0046	0.0248	-0.0018	0.0024	0.0336	0.0014	0.0288	27.7107	25.4915	-36.7507
7	0.4654	-0.1279	-0.5352	0.0362	0.1424	0.637	-0.022	-0.0451	-0.0006	0.0112	0.0228	0.0028	0.0105	0.0273	-0.0008	0.0409	0.0095	0.0085	0.0452	0.0043	0.0405	44.1359	26.2543	-37.1107
8	0.0407	-0.0124	-0.0373	0.0086	0.0084	0.0366	0.0052	-0.001	0.0044	-0.0041	-0.0024	-0.0049	-0.0004	-0.0005	-0.0028	0.0242	-0.0002	-0.0014	0.0354	0.0005	0.0268	26.5696	18.5416	-25.1477
9	0.0049	-0.028	-0.0114	0.1662	0.0679	0.0279	-0.0011	0.0013	-0.0037	-0.0015	-0.0013	0.0089	0.001	0.0017	0.0024	0.0256	0.001	-0.0004	0.0351	0.0009	0.0277	31.0962	17.3953	-18.8023
10	0.0547	0.0715	0.0695	0.3209	0.0713	0.092	-0.0031	0.0105	0.0049	0.0054	-0.0109	0.0075	-0.0034	0.0144	0.014	0.0209	-0.0029	0.0022	0.0362	0.0033	0.0262	45.7975	21.5034	-17.0311
11	0.0061	0.0242	-0.003	0.1323	-0.0012	0.0185	-0.002	0.0033	0.0036	-0.001	-0.0032	0.0059	0.0028	0.002	0.0052	0.0211	-0.0013	-0.0014	0.0348	0.0007	0.0268	34.9745	21.3957	-12.7944
12	0.0814	0.025	0.0909	0.0221	-0.0001	0.157	0.0058	0.0026	-0.0061	0.0055	0.0003	-0.0037	0.0065	0.0004	-0.0061	0.0247	-0.001	0.0006	0.035	0.0015	0.026	20.472	13.6035	-10.5015
13	0.3489	-0.0342	0.3642	0.0204	-0.0604	0.4166	0.0119	-0.0037	-0.0018	0.0025	-0.0012	0.0044	0.0052	0.0013	-0.0107	0.0266	0.0002	0.0009	0.031	-0.0013	0.0241	27.5355	20.3425	-2.8801
14	0.078	-0.0107	0.017	0.0159	-0.0751	0.3785	-0.0077	0.0077	-0.0043	-0.0023	-0.0025	-0.0023	0.0093	0.0239	0.0102	0.0174	-0.0008	-0.001	0.0334	0.0015	0.0262	46.1342	16.9784	-13.0285
15	0.2405	0.1873	0.0264	0.4469	0.0297	0.1481	-0.006	0.0129	0.0016	-0.0294	0.0047	0.0014	-0.0134	0.0017	0.0013	0.0238	0.0025	-0.0005	0.0333	-0.0005	0.0258	39.3645	-2.7127	-40.0467
16	0.0059	-0.0001	0.0478	0.2329	0.1431	0.536	-0.0083	-0.0023	-0.0001	0.0019	-0.0023	0.0102	-0.0167	0.0037	0.0106	0.018	-0.0014	0.0034	0.0352	0.0012	0.0306	31.8584	-13.8411	-30.1738
17	0.0283	-0.0214	-0.0371	0.2449	-0.184	0.2522	0.0039	0.0011	-0.001	0.0056	-0.0081	0.0103	-0.0173	0.0009	0.0042	0.0205	-0.0015	0.0006	0.0357	-0.0003	0.0269	27.169	-3.8937	-37.1501
18	0.075	0.0158	0.0377	0.0486	0.0189	0.0218	0.0021	0.0012	-0.0019	0.0067	-0.004	-0.0003	0.0022	0.0015	0.0019	0.0267	0.0005	0.0001	0.0344	0.0005	0.0265	30.7342	-5.0978	-12.9558
19	0.2401	-0.013	-0.2607	0.2804	0.3801	0.767	0.0034	0.0194	0.0182	0.0285	0.014	-0.0045	0.0448	-0.0247	-0.0175	0.0242	-0.0056	0.0011	0.0282	0.0038	0.0255	39.2669	-6.5812	-23.4011
20	0.0276	-0.0138	-0.0272	0.0464	-0.0101	0.0411	0.0016	0.0016	0.0019	0.0056	-0.0007	-0.0025	-0.0041	-0.0046	-0.0009	0.023	-0.0028	-0.0004	0.0348	-0.0004	0.027	30.7555	-4.9578	-26.1856
21	0.5972	-0.1449	0.0634	0.4545	-0.6763	1.0516	0.2346	-0.0894	-0.1468	0.0411	-0.1121	0.0595	-0.1511	0.0678	-0.1225	0.1997	-0.0578	-0.0625	0.075	-0.0057	0.0674	-20.4659	-11.9446	-2.264
22	0.0007	0.0005	0.0011	0.0006	0.0015	0.0035	0.0035	-0.0014	-0.0045	0.0023	0.0031	-0.0037	0.0037	0.0047	-0.0066	0.0337	-0.0006	-0.0025	0.0281	0.0039	0.0334	-11.5054	-9.4605	-2.8512
23	0.0218	0.031	0.0041	0.0515	-0.003	0.0126	0.0023	-0.0009	0.002	0.0007	-0.0026	-0.0009	-0.0006	0.0019	0.0003	0.0222	0.0013	0.0019	0.0343	-0.0002	0.0279	-7.5021	6.8408	-15.9807
24	0.398	-0.1831	0.1705	0.5164	-0.0973	0.0741	0.0033	0.0053	0.0136	-0.027	-0.0125	0.0039	-0.0007	0.004	0.0092	0.0128	-0.0007	0.0064	0.0399	0.002	0.0329	-22.9578	4.5353	-22.7577
25	0.0768	0	-0.0063	0.0385	-0.0278	0.0707	0.0088	-0.0045	-0.0014	-0.0047	-0.0013	-0.0214	0.0036	0.0042	-0.0075	0.0242	-0.0013	-0.0032	0.0344	-0.0009	0.0288	-9.2827	-8.5446	-14.5577
26	0.0174	-0.0011	0.0345	0.0004	-0.0026	0.069	0.0047	-0.0006	-0.0088	-0.0016	0.0053	-0.0019	0.0019	-0.0037	-0.0099	0.0282	0.0005	0.0002	0.0348	-0.0007	0.0302	0.7619	-3.0315	-19.2408
27	0.016	0.0102	0.0346	0.0068	0.0229	0.077	0.0002	0	-0.0052	0.0004	0.0014	-0.0007	-0.0012	-0.002	-0.0016	0.0244	-0.0005	0.001	0.0357	0.0004	0.0311	-17.3641	-1.3348	-30.1815
28	0.5569	0.0476	0.5931	0.3567	0.335	0.8616	0.0235	-0.0317	-0.0041	0.013	-0.0205	0.0158	0.0396	-0.0399	-0.003	0.0261	-0.0019	0.002	0.0368	0	0.0222	-11.2177	-6.2296	-36.6929
29	0.0281	-0.0443	-0.034	0.0949	0.0506	0.0421	0.0011	-0.0019	0.0023	-0.0036	0.0033	-0.008	-0.0023	-0.0022	-0.0044	0.025	-0.0009	-0.0008	0.0353	0.0001	0.0259	5.1933	-0.9567	-32.2521
30	0.1299	0.1444	-0.0394	0.241	0.0193	0.0748	-0.0042	-0.009	-0.0045	-0.002	-0.0001	0.0185	-0.0001	0.0028	0.0043	0.0204	0.001	0.0014	0.0345	0.0009	0.0281	-3.9616	-11.7243	-38.006
31	0.1136	-0.0397	0.0235	0.1892	-0.0312	0.0511	-0.0029	0.004	0.0024	-0.0038	0.0022	0.0019	-0.0085	-0.0012	0.0007	0.021	-0.0008	-0.0005	0.0344	0.0008	0.0259	0.4543	1.6831	-38.582
32	0.1143	0.0457	0.0174	0.0184	0.007	0.0027	-0.0068	0.0065	-0.0052	-0.0027	0.0059	-0.0009	-0.0022	0.0023	0.0009	0.0263	0.0013	-0.0002	0.035	-0.0003	0.0289	-13.9163	2.8814	-41.898
33	0.3775	-0.0618	0.0904	0.2489	0.045	0.0369	0.0015	0.0205	0.0102	-0.0128	-0.0052	0.01	-0.0046	0.0027	0.0037	0.0269	-0.001	0.003	0.0358	0.0019	0.0143	0.4845	-1.3885	-48.4715
34	0.0546	0.0321	0.0841	0.378	0.2201	0.9783	0.003	-0.0191	-0.0042	-0.0075	0.0119	-0.024	-0.0292	0.048	-0.0148	0.0077	-0.0054	0.0016	0.0278	0.0005	0.0288	13.1266	0.2803	-33.7197
35	0.1328	-0.0258	-0.0157	0.1632	0.0723	0.1004	-0.0019	-0.0046	-0.0032	0.0131	0.0096	-0.0238	0.0149	0.0148	-0.0077	0.0262	-0.0014	0.0026	0.0344	0.0021	0.0255	3.5886	16.6055	-12.0176
36	0.0649	-0.0375	-0.0808	0.125	-0.0042	0.127	-0.001	0.0023	0.0034	0.0133	0.0002	0.0117	0.0065	0.0032	0.0008	0.0189	0.0001	0.001	0.0341	0.001	0.0304	-6.0022	30.8094	-17.8074
37	0.0404	0.0512	0.0176	0.1847	-0.0949	0.1669	0.0012	-0.0028	0.0024	-0.007	0.0004	0.0119	0.0169	-0.0052	-0.0016	0.0232	0.001	0.0029	0.0348	-0.0015	0.0262	-10.1883	21.9075	-15.7725
38	0.0055	0.0081	0.0085	0.0205	0.0059	0.0199	-0.0032	0.0041	0.0025	-0.0024	0.0014	0.0004	-0.0026	0.0058	0.0019	0.0251	0.001	-0.0003	0.0339	-0.0014	0.0271	-3.6697	22.2712	-30.2946
39	0.0046	-0.0182	0.0043	0.0911	-0.0246	0.0073	0.0067	0.0053	-0.0061	0.0134	0.0022	0.0463	-0.0048	-0.0046	-0.0089	0.047	0.0041	0.006	0.0517	0.0086	0.0492	-15.7202	27.1561	-43.2201
40	0.0011	-0.0037	0.0014	0.0836	-0.0273	0.0092	0.004	-0.0008	-0.0041	0.0018	-0.0025	0.0111	0.0018	0.0004	-0.0015	0.0226	0.0022	0.0017	0.0341	0.0001	0.0278	-7.6011	20.3959	-19.8003

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	340 - 351
2	X-RAY DIFFRACTION	2	A	352 - 373
3	X-RAY DIFFRACTION	3	A	374 - 381
4	X-RAY DIFFRACTION	4	A	382 - 401
5	X-RAY DIFFRACTION	5	A	402 - 408
6	X-RAY DIFFRACTION	6	A	409 - 449
7	X-RAY DIFFRACTION	7	A	450 - 454
8	X-RAY DIFFRACTION	8	A	455 - 489
9	X-RAY DIFFRACTION	9	A	490 - 511
10	X-RAY DIFFRACTION	10	A	512 - 530
11	X-RAY DIFFRACTION	11	A	531 - 567
12	X-RAY DIFFRACTION	12	A	568 - 580
13	X-RAY DIFFRACTION	13	A	581 - 592
14	X-RAY DIFFRACTION	14	A	593 - 616
15	X-RAY DIFFRACTION	15	A	617 - 630
16	X-RAY DIFFRACTION	16	A	631 - 642
17	X-RAY DIFFRACTION	17	A	643 - 661
18	X-RAY DIFFRACTION	18	A	662 - 683
19	X-RAY DIFFRACTION	19	A	684 - 690
20	X-RAY DIFFRACTION	20	A	691 - 730
21	X-RAY DIFFRACTION	21	B	342 - 348
22	X-RAY DIFFRACTION	22	B	349 - 353
23	X-RAY DIFFRACTION	23	B	354 - 401
24	X-RAY DIFFRACTION	24	B	402 - 408
25	X-RAY DIFFRACTION	25	B	409 - 450
26	X-RAY DIFFRACTION	26	B	451 - 468
27	X-RAY DIFFRACTION	27	B	469 - 489
28	X-RAY DIFFRACTION	28	B	490 - 499
29	X-RAY DIFFRACTION	29	B	500 - 531
30	X-RAY DIFFRACTION	30	B	532 - 547
31	X-RAY DIFFRACTION	31	B	548 - 564
32	X-RAY DIFFRACTION	32	B	565 - 584
33	X-RAY DIFFRACTION	33	B	585 - 601
34	X-RAY DIFFRACTION	34	B	602 - 614
35	X-RAY DIFFRACTION	35	B	615 - 628
36	X-RAY DIFFRACTION	36	B	629 - 640
37	X-RAY DIFFRACTION	37	B	641 - 661
38	X-RAY DIFFRACTION	38	B	662 - 710
39	X-RAY DIFFRACTION	39	B	711 - 717
40	X-RAY DIFFRACTION	40	B	718 - 730

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