PDB-6jst: Structure of Geobacillus kaustophilus lactonase, Y99P/D266N doubl...

ID or keywords:

Entry

Database: PDB / ID: 6jst

Title

Structure of Geobacillus kaustophilus lactonase, Y99P/D266N double mutant with bound 3-oxo-C8-HSL

Components

Phosphotriesterase

Keywords

HYDROLASE / Alpha-Beta Barrel

Function / homology

Function and homology information

Hydrolases; Acting on carbon-nitrogen bonds, other than peptide bonds / hydrolase activity / zinc ion binding
Similarity search - Function

Biological species

Geobacillus kaustophilus (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 1.726 Å

Authors

Xue, B. / Yew, W.S.

Funding support

Singapore, 1items

Citation

Journal: Structure / Year: 2020
Title: Directed Computational Evolution of Quorum-Quenching Lactonases from the Amidohydrolase Superfamily.
Authors: Go, M.K. / Zhao, L.N. / Xue, B. / Supekar, S. / Robinson, R.C. / Fan, H. / Yew, W.S.

History

Deposition	Apr 8, 2019	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Apr 8, 2020	Provider: repository / Type: Initial release
Revision 1.1	May 6, 2020	Group: Database references / Category: citation Item: _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2	Jun 17, 2020	Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.page_first
Revision 1.3	Nov 22, 2023	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_initial_refinement_model / struct_conn / struct_conn_type Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/js/6jst ftp://data.pdbj.org/pub/pdb/validation_reports/js/6jst	HTTPS FTP

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Related structure data

Related structure data	6jssC 6jsuC 4h9uS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6jsu-d 4ha0-d 4h9u-d 4wvx-d 4ker-1 4h9y-d 3tn5-d 3tnb-d 4ker-2 3tn3-d 4kes-1 4g2d-1 5vej-2 2r1k-2 4h9z-d 6for-1 3ojg-1 3so7-1 4xay-d 3wml-1 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

6jssC

6jsuC

4h9uS

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	#187 - Jul 2015 New Delhi Metallo-β-Lactamase similarity (1) #262 - Oct 2021 Fifty Years of Open Access to PDB Structures similarity (1) #57 - Sep 2004 Catalase similarity (1) #215 - Nov 2017 Aspartate Transcarbamoylase similarity (1) #158 - Feb 2013 Proton-Gated Urea Channel similarity (1) #142 - Oct 2011 PDB Pioneers similarity (1)

Deposited unit

A: Phosphotriesterase

B: Phosphotriesterase

C: Phosphotriesterase

D: Phosphotriesterase

hetero molecules

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

1

A: Phosphotriesterase

B: Phosphotriesterase

hetero molecules

defined by author&software
Evidence: gel filtration
74.1 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Phosphotriesterase

D: Phosphotriesterase

hetero molecules

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

Unit cell

Length a, b, c (Å)	50.991, 51.187, 134.473
Angle α, β, γ (deg.)	90.990, 91.330, 96.330
Int Tables number	1
Space group name H-M	P1

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Protein , 1 types, 4 molecules ABCD

#1: Protein	Phosphotriesterase Mass: 36812.883 Da / Num. of mol.: 4 / Mutation: Y99P, D266N Source method: isolated from a genetically manipulated source Source: (gene. exp.) Geobacillus kaustophilus (strain HTA426) (bacteria) Strain: HTA426 / Gene: GK1506 / Plasmid: modified pET15b / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) References: UniProt: Q5KZU5, Hydrolases; Acting on carbon-nitrogen bonds, other than peptide bonds

#1: Protein

Phosphotriesterase

Mass: 36812.883 Da / Num. of mol.: 4 / Mutation: Y99P, D266N
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Geobacillus kaustophilus (strain HTA426) (bacteria)
Strain: HTA426 / Gene: GK1506 / Plasmid: modified pET15b / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3)
References: UniProt: Q5KZU5, Hydrolases; Acting on carbon-nitrogen bonds, other than peptide bonds

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Non-polymers , 5 types, 774 molecules

#2: Chemical	ChemComp-FE / FE (III) ION Mass: 55.845 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Fe
#3: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn
#4: Chemical	ChemComp-OH / HYDROXIDE ION Mass: 17.007 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: HO
#5: Chemical	ChemComp-LAE / 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE / N-(3-OXO-OCTANAL-1-YL)-HOMOSERINE LACTONE Mass: 241.284 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₂H₁₉NO₄
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 762 / 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: 2.37 Å³/Da / Density % sol: 48.06 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 17.00% w/v PEG 20000, 0.10 M TRIS-HCl, pH 8.5, 0.10 M MgCl2

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

Australian Synchrotron

/ Beamline: MX1 / Wavelength: 1 Å

Detector

Type: ADSC QUANTUM 210r / Detector: CCD / Date: Oct 26, 2017

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1 Å / Relative weight: 1

Reflection

Resolution: 1.73→44.917 Å / Num. obs: 142028 / % possible obs: 83.8 % / Redundancy: 1.975 % / CC_1/2: 0.995 / R_merge(I) obs: 0.048 / R_rim(I) all: 0.067 / Χ²: 0.98 / Net I/σ(I): 10.73 / Num. measured all: 468131

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	Num. measured obs	Num. possible	Num. unique obs	CC_1/2	R_rim(I) all	% possible all
1.73-1.83	1.919	0.212	2.83	63960	45780	33338	0.888	0.3	72.8
1.83-1.96	1.982	0.154	4.54	78298	43102	39509	0.933	0.218	91.7
1.96-2.12	1.984	0.103	7.22	69819	39880	35193	0.964	0.145	88.2
2.12-2.32	1.984	0.075	10.2	61455	36906	30971	0.979	0.106	83.9
2.32-2.59	1.985	0.06	12.92	54341	33170	27375	0.983	0.084	82.5
2.59-2.99	1.985	0.048	16.1	47451	29408	23907	0.987	0.068	81.3
2.99-3.66	1.983	0.04	19.68	40326	24798	20331	0.989	0.057	82
3.66-5.16	1.987	0.033	21.2	33040	19186	16629	0.991	0.047	86.7
5.16-44.917	1.984	0.027	21.19	19441	10630	9801	0.995	0.039	92.2

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Phasing

Phasing

Method:

molecular replacement

Phasing MR

Model details: Phaser MODE: MR_AUTO

	Highest resolution	Lowest resolution
Rotation	3.5 Å	29.07 Å
Translation	3.5 Å	29.07 Å

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHASER	2.7.17	phasing
PHENIX	1.11.1_2575	refinement
PDB_EXTRACT	3.24	data extraction
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4H9U

4h9u

Resolution: 1.726→19.986 Å / SU ML: 0.21 / Cross valid method: THROUGHOUT / σ(F): 0.91 / Phase error: 26.49

	R_factor	Num. reflection	% reflection
R_free	0.2639	12924	4.9 %
R_work	0.2187	-	-
obs	0.221	133282	92.9 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Displacement parameters

B_iso max: 84.32 Å² / B_iso mean: 30.5855 Å² / B_iso min: 3.55 Å²

Refinement step

Cycle: final / Resolution: 1.726→19.986 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10152	0	28	762	10942
B_iso mean	-	-	34.84	33.14	-
Num. residues	-	-	-	-	1292

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.012	10439
X-RAY DIFFRACTION	f_angle_d	0.91	14081
X-RAY DIFFRACTION	f_chiral_restr	0.055	1517
X-RAY DIFFRACTION	f_plane_restr	0.006	1863
X-RAY DIFFRACTION	f_dihedral_angle_d	4.012	6208

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 30

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
1.7257-1.7453	0.453	23	0.3774	467	490	5
1.7453-1.7659	0.3571	315	0.2696	6243	6558	69
1.7659-1.7874	0.2902	387	0.2375	8573	8960	96
1.7874-1.81	0.2779	440	0.2182	8707	9147	96
1.81-1.8338	0.273	355	0.2246	8697	9052	95
1.8338-1.8589	0.2954	479	0.24	8550	9029	96
1.8589-1.8854	0.2846	460	0.2436	8704	9164	96
1.8854-1.9135	0.3066	475	0.2405	8510	8985	96
1.9135-1.9434	0.2779	474	0.2252	8651	9125	96
1.9434-1.9753	0.2645	476	0.2296	8537	9013	95
1.9753-2.0093	0.2847	543	0.2228	8733	9276	97
2.0093-2.0458	0.2684	490	0.2268	8575	9065	96
2.0458-2.0851	0.2828	462	0.2317	8563	9025	97
2.0851-2.1276	0.2586	551	0.2222	8812	9363	96
2.1276-2.1738	0.2966	445	0.2253	8532	8977	97
2.1738-2.2243	0.2879	434	0.2284	8862	9296	96
2.2243-2.2799	0.2842	405	0.2277	8633	9038	97
2.2799-2.3414	0.2621	424	0.2201	8849	9273	97
2.3414-2.4102	0.2609	423	0.2176	8709	9132	97
2.4102-2.4879	0.2792	421	0.2217	8774	9195	97
2.4879-2.5766	0.2683	384	0.2274	8856	9240	97
2.5766-2.6795	0.2521	506	0.2305	8779	9285	97
2.6795-2.8012	0.2944	455	0.2344	8760	9215	98
2.8012-2.9484	0.2637	430	0.231	8815	9245	98
2.9484-3.1325	0.2825	486	0.217	8750	9236	98
3.1325-3.3733	0.2683	350	0.2131	8993	9343	98
3.3733-3.7108	0.2387	479	0.2038	8789	9268	98
3.7108-4.2433	0.2237	463	0.1963	8852	9315	98
4.2433-5.3293	0.2144	425	0.189	8816	9241	99
5.3293-19.9872	0.2653	464	0.2189	8806	9270	98

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	0.0009	-0.0003	-0.0015	0.0572	0.0315	0.0266	-0.0362	0.0032	0.055	0.0394	0.0256	0.002	0.0172	0.0225	-0.0219	0.0296	0.0097	-0.0094	0.0572	-0.0306	0.1464	28.7153	51.1055	26.3397
2	0.0608	-0.0579	0.0891	0.0579	-0.0619	0.1495	0.0571	-0.0675	0.042	0.0116	0.0366	0.0336	-0.0051	0.0289	0.0431	0.04	-0.0204	0.0446	0.1121	-0.0187	0.0539	15.1371	36.9016	29.7649
3	0.0011	-0.0025	-0.0102	0.0149	0.0041	0.0445	0.026	-0.0389	0.0647	0.0075	0.0061	0.0146	-0.0266	-0.0308	0.0059	0.0484	0.0069	0.0115	0.06	-0.0189	0.1289	20.784	44.5171	25.2225
4	0.0437	-0.0243	0.0315	0.0455	-0.0785	0.1455	-0.0017	-0.0303	0.0468	-0.0328	-0.027	-0.0004	0.0691	-0.0086	-0.0051	0.0261	0.0049	-0.0029	0.0209	0.0164	0.0755	27.2269	36.3376	20.1251
5	-0.0004	-0.0006	0.001	0.0038	-0.0023	-0.0006	-0.0342	-0.02	-0.015	-0.0368	0.0004	-0.0442	0.0124	0.002	0	0.0857	0.005	0.0083	0.0653	0.0204	0.0413	29.3158	35.4081	5.4405
6	0.0075	0.0016	-0.0083	0.0017	0.0035	0.0209	-0.0121	0.0193	0.0222	-0.0383	0.0397	0.0233	0.0291	-0.0009	0.0014	0.0565	0.0051	0.0005	0.0422	0.0075	0.1053	29.7897	38.3102	16.3014
7	0.0073	-0.0011	-0.0001	0.0031	-0.0007	0.0023	0.0149	0.0054	0.0279	0.0089	0.0037	0.0111	0.0032	0.0106	0.0219	0.0129	0.0456	0.0628	0.0193	0.0264	0.0648	37.427	37.168	10.1846
8	0.0043	0.0053	0.0047	0.0492	0.0363	0.0273	0.0346	-0.0767	0.0586	-0.0536	0.0132	-0.0652	0.0172	0.077	0.004	0.0393	0.0136	-0.0053	0.0875	-0.0035	0.1107	43.5548	36.1847	23.9292
9	0.0045	0.0005	-0.0037	0.0031	-0.0044	0.006	0.0137	-0.0133	-0.0301	0.032	0.0477	0.0102	0.022	0.0207	0.0089	0.1556	-0.0123	-0.0402	0.2468	0.0338	0.0567	38.9076	31.9495	38.6254
10	0.077	-0.0593	0.008	0.0396	-0.0066	0.0042	-0.0577	-0.161	0.0723	0.052	0.0495	-0.0461	-0.014	-0.0145	-0.0188	0.0915	-0.0016	0.0003	0.149	-0.0209	0.0695	32.8181	39.0198	37.6306
11	0.0084	0.0079	-0.0037	0.0129	-0.0109	0.0263	0.025	0.0194	0.0066	-0.0463	0.0335	0.0481	-0.0063	-0.0222	0.0277	0.0792	0.0026	-0.0354	0.0653	0.002	0.1333	-2.5326	16.1049	3.6508
12	0.0182	-0.0161	0.0142	0.0187	-0.0134	0.0054	0.0329	0.0102	-0.006	-0.0521	-0.0067	0.0503	-0.0175	-0.0029	0.039	0.0966	0.0504	-0.0625	-0.0368	0.0733	-0.0001	10.0211	31.2337	0.2945
13	0.0267	0.0032	-0.019	0.0045	0.003	0.0209	0.028	0.0194	0.0081	-0.0647	0.0055	0.0545	-0.0437	0.0185	0.0056	0.0699	-0.0037	-0.0192	0.0534	0.009	0.0723	6.5152	22.6756	6.7985
14	0.0041	-0.0014	-0.0049	0.0031	0.0024	0.0039	0.0155	-0.0412	-0.0108	0.0043	-0.0228	-0.0312	-0.0088	0.0084	-0	0.0661	-0.0037	0.0085	0.0704	0.0195	0.0976	13.1251	17.1958	24.5812
15	0.0059	-0.0111	0.0197	0.0159	-0.0133	0.0192	0.0304	-0.0013	-0.0521	-0.0225	0.0182	0.0389	0.0329	-0.0061	0.0409	-0.0126	0.1283	-0.0576	-0.1969	0.1475	0.0369	12.717	10.0456	14.4101
16	0.0335	-0.0178	0.007	0.016	-0.0027	0.0137	0.0446	0.004	-0.0464	-0.0902	-0.0092	0.0378	0.0379	0.0015	0.0219	0.0901	0.01	-0.0113	0.0579	0.0021	0.1014	13.7463	3.7369	1.395
17	0.011	-0.0065	0.0083	0.0151	-0.0083	0.0064	0.018	0.0138	-0.0046	-0.0081	-0.0038	-0.0158	0.024	0.0022	-0.0047	0.2392	0.0655	-0.0214	0.1956	-0.0743	0.1538	17.6275	5.9004	-9.4654
18	0.0564	-0.012	0.0395	0.0208	0.0067	0.0343	0.0527	0.0901	-0.0358	-0.0869	-0.0401	-0.0154	0.0385	0.0657	0.0122	0.1867	0.0244	-0.0256	0.1454	0.0003	0.0619	13.0911	15.764	-8.6722
19	0.0025	0.0034	0.0002	0.0022	0.0004	-0.0001	0.0258	-0.0078	-0.0225	-0.0305	-0.003	0.0187	-0.0021	-0.0092	0.0034	0.1485	0.0087	-0.0637	0.0759	-0.0194	0.1404	-0.7691	5.5934	-3.6863
20	0.0054	0.0112	-0.0051	0.0108	-0.0053	0.0136	0.0106	0.0292	-0.0721	-0.0415	0.0264	-0.0193	0.0488	-0.0231	-0	0.2752	-0.0325	0.0185	0.3376	-0.0517	0.2931	2.2786	0.2274	69.4076
21	0.011	-0.0046	-0.0073	0.0067	0.009	0.0083	-0.039	0.0469	-0.0266	0.0169	-0.0273	-0.0096	-0.0274	0.0593	0	0.2526	-0.0272	0.0119	0.3206	-0.0551	0.2886	16.0889	9.2769	79.9529
22	0.0078	0.0021	-0.0059	0.0056	-0.0017	0.0076	0.0052	0.0032	-0.0088	-0.0684	-0.002	0.0178	-0.0061	0.0101	0	0.239	-0.0522	0.0236	0.3972	-0.0061	0.2787	19.3015	12.9183	60.4305
23	0.0037	-0.0028	-0.0048	0.0066	-0.0093	0.0087	-0.0609	0.032	0.0428	-0.0475	-0.0475	0.0901	0.0278	0.0065	0	0.24	-0.0327	0.0316	0.3566	-0.0745	0.2517	8.2455	6.558	55.4983
24	0.0034	-0.0006	-0.0059	-0.001	-0.001	0.0081	0.0357	-0.052	-0.031	-0.0038	0.0609	-0.0449	0.0695	-0.0305	0	0.3282	-0.0283	0.0119	0.2992	0.0182	0.25	-5.2131	15.6678	100.2923
25	0.0084	-0.0076	0.0068	0.0081	-0.001	0.0064	0.0092	0.0361	-0.0185	-0.0142	-0.0368	0.014	0.0175	0.0206	-0	0.2522	-0.025	0.0236	0.3263	-0.0749	0.2756	-6.3998	18.2204	95.0385
26	0.0084	-0.0114	-0.0039	0.0183	-0.015	0.0148	0.0544	0.0206	0.0093	0.0076	0.0052	-0.0013	-0.1259	-0.0577	-0	0.2541	0.0005	0.0217	0.3216	-0.0359	0.2633	-6.3167	31.9127	86.1682
27	0.0001	0.0004	-0.0006	0.001	-0.0015	0.0026	0.0419	-0.0092	0.0241	0.0181	-0.0047	-0.0009	-0.0359	0.0076	-0	0.2976	-0.007	0.0135	0.2716	-0.0938	0.2796	4.6095	35.2078	103.8738
28	0.003	0.0031	-0.0043	0.0024	-0.0041	0.0048	-0.0429	0.0271	-0.0039	0.0003	0.0006	-0.0071	-0.0389	0.0102	0	0.3487	0.0136	0.0851	0.3091	-0.0271	0.2737	-1.6678	30.56	103.3007
29	0.0035	0.0035	0.0022	0.0104	-0.0057	0.0069	0.0115	-0.008	0.0044	0.0666	-0.0582	-0.0239	-0.0257	0.0415	-0	0.2165	-0.031	0.0232	0.2589	-0.016	0.1874	1.5234	28.0265	109.0156

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 3 through 26 )	A	3 - 26
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 27 through 61 )	A	27 - 61
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 62 through 88 )	A	62 - 88
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 89 through 106 )	A	89 - 106
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 107 through 131 )	A	107 - 131
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 132 through 154 )	A	132 - 154
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 155 through 171 )	A	155 - 171
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 172 through 228 )	A	172 - 228
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 229 through 254 )	A	229 - 254
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 255 through 325 )	A	255 - 325
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 3 through 26 )	B	3 - 26
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 27 through 61 )	B	27 - 61
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 62 through 106 )	B	62 - 106
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 107 through 131 )	B	107 - 131
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 132 through 195 )	B	132 - 195
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 196 through 235 )	B	196 - 235
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 236 through 254 )	B	236 - 254
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 255 through 308 )	B	255 - 308
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 309 through 325 )	B	309 - 325
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 3 through 88 )	C	3 - 88
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 89 through 171 )	C	89 - 171
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 172 through 254 )	C	172 - 254
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 255 through 325 )	C	255 - 325
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 3 through 61 )	D	3 - 61
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 62 through 106 )	D	62 - 106
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 107 through 222 )	D	107 - 222
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 223 through 253 )	D	223 - 253
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 254 through 273 )	D	254 - 273
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 274 through 325 )	D	274 - 325

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