PDB-5zqd: Crystal Structure of Penicillin-Binding Protein D2 from Listeria ...

ID or keywords:

Entry

Database: PDB / ID: 5zqd

Title

Crystal Structure of Penicillin-Binding Protein D2 from Listeria monocytogenes in the Cefotaxime bound form

Components

Lmo2812 protein

Keywords

ANTIBIOTIC / antibiotics / beta-lactams / DD-carboxypeptidase / LmPBPD2

Function / homology

Function and homology information

serine-type D-Ala-D-Ala carboxypeptidase activity / peptidoglycan biosynthetic process / cell wall organization / regulation of cell shape / proteolysis / metal ion binding
Similarity search - Function

Biological species

Listeria monocytogenes EGD-e (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.888 Å

Authors

Jeong, J.H. / Kim, Y.G.

Funding support

Korea, Republic Of, 1items

Citation

Journal: Antimicrob. Agents Chemother. / Year: 2018
Title: Crystal Structures of Penicillin-Binding Protein D2 from Listeria monocytogenes and Structural Basis for Antibiotic Specificity
Authors: Jeong, J.H. / Cha, H.J. / Kim, Y.G.

History

Deposition	Apr 18, 2018	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Jul 25, 2018	Provider: repository / Type: Initial release
Revision 1.1	Aug 22, 2018	Group: Data collection / Database references / Category: citation Item: _citation.journal_abbrev / _citation.journal_volume ..._citation.journal_abbrev / _citation.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2	Sep 12, 2018	Group: Data collection / Database references / Category: citation / Item: _citation.journal_volume / _citation.title
Revision 2.0	Sep 19, 2018	Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Non-polymer description / Structure summary Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_validate_close_contact / struct_conn / struct_site Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.type_symbol / _chem_comp.formula / _chem_comp.formula_weight / _chem_comp.id / _chem_comp.mon_nstd_flag / _chem_comp.name / _chem_comp.pdbx_synonyms / _chem_comp.type / _entity.pdbx_description / _pdbx_entity_nonpoly.comp_id / _pdbx_entity_nonpoly.name / _pdbx_nonpoly_scheme.mon_id / _pdbx_nonpoly_scheme.pdb_mon_id / _pdbx_validate_close_contact.auth_atom_id_1 / _pdbx_validate_close_contact.auth_atom_id_2 / _pdbx_validate_close_contact.auth_comp_id_1 / _pdbx_validate_close_contact.auth_comp_id_2 / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_site.details / _struct_site.pdbx_auth_comp_id
Revision 2.1	Nov 22, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 2.2	Sep 17, 2025	Group: Advisory / Derived calculations / Structure summary Category: pdbx_entry_details / pdbx_modification_feature ...pdbx_entry_details / pdbx_modification_feature / pdbx_validate_close_contact / struct_conn

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	5zqd_validation.pdf.gz	4.2 MB	Display	wwPDB validaton report
Full document	5zqd_full_validation.pdf.gz	4.3 MB	Display
Data in XML	5zqd_validation.xml.gz	97.8 KB	Display
Data in CIF	5zqd_validation.cif.gz	123.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/zq/5zqd ftp://data.pdbj.org/pub/pdb/validation_reports/zq/5zqd	HTTPS FTP

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Related structure data

Related structure data	5zqaSC 5zqbC 5zqcC 5zqeC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5zqe-6 5zqe-1 5zqe-8 5zqb-2 5zqc-1 5zqb-4 4raj-d 6pfs-d 1ni6-4 5zqc-4 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) 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

5zqaSC

5zqbC

5zqcC

5zqeC

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	#261 - Sep 2021 DNA-Sequencing Nanopores similarity (1) #22 - Oct 2001 Photosystem I similarity (1) #262 - Oct 2021 Fifty Years of Open Access to PDB Structures similarity (1) #29 - May 2002 Penicillin-binding Proteins similarity (1) #95 - Nov 2007 Multidrug Resistance Transporters similarity (1)

Deposited unit

A: Lmo2812 protein

B: Lmo2812 protein

C: Lmo2812 protein

D: Lmo2812 protein

E: Lmo2812 protein

F: Lmo2812 protein

G: Lmo2812 protein

H: Lmo2812 protein

hetero molecules

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

1

A: Lmo2812 protein

hetero molecules

defined by author&software
Evidence: gel filtration
30.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Lmo2812 protein

hetero molecules

defined by author&software
30.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Lmo2812 protein

hetero molecules

defined by author&software
31 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: Lmo2812 protein

hetero molecules

defined by author&software
31 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

E: Lmo2812 protein

hetero molecules

defined by author&software
30.7 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

F: Lmo2812 protein

hetero molecules

defined by author&software
30.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

7

G: Lmo2812 protein

hetero molecules

defined by author&software
31 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

8

H: Lmo2812 protein

hetero molecules

defined by author&software
31 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	74.858, 98.719, 154.576
Angle α, β, γ (deg.)	90.00, 103.89, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Lmo2812 protein Mass: 30091.605 Da / Num. of mol.: 8 / Fragment: UNP residues 21-272 Source method: isolated from a genetically manipulated source Details: it contains covalently bound Cefotaxime molecules Source: (gene. exp.) Listeria monocytogenes EGD-e (bacteria) Strain: EGD-e / Gene: lmo2812 / Production host: Escherichia coli (E. coli) / References: UniProt: Q8Y3M3
#2: Chemical	ChemComp-CEF / CEFOTAXIME, C3' cleaved, open, bound form Mass: 397.429 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₁₄H₁₅N₅O₅S₂
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 977 / 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: 2.3 Å³/Da / Density % sol: 46.6 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 0.1M Tris-HCl (pH 8.0), 25%(wt/vol) PEG 3350, 0.2M sodium chloride

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Data collection

Diffraction	Mean temperature: 200 K
Diffraction source	Source: SYNCHROTRON / Site: PAL/PLS / Beamline: 5C (4A) / Wavelength: 0.9794 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jul 24, 2016
Radiation	Monochromator: Double crystal SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9794 Å / Relative weight: 1
Reflection	Resolution: 1.888→29.87 Å / Num. obs: 170527 / % possible obs: 97.42 % / Observed criterion σ(I): 0 / Redundancy: 6.6 % / B_iso Wilson estimate: 10.88 Å² / CC_1/2: 0.992 / R_merge(I) obs: 0.1814 / R_pim(I) all: 0.0751 / R_rim(I) all: 0.1967 / Net I/σ(I): 5.45
Reflection shell	Resolution: 1.888→1.956 Å / Redundancy: 6.7 % / R_merge(I) obs: 0.585 / Mean I/σ(I) obs: 2.05 / Num. unique obs: 15963 / CC_1/2: 0.929 / R_pim(I) all: 0.2402 / R_rim(I) all: 0.6332 / % possible all: 91.8

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Processing

Software

Name	Version	Classification
PHENIX	(1.13_2998: ???)	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5ZQA

5zqa

Resolution: 1.888→29.867 Å / Cross valid method: NONE / σ(F): 223.48 / Phase error: 35.24

	R_factor	Num. reflection	% reflection
R_free	0.2424	2011	1.18 %
R_work	0.1951	-	-
obs	0.1961	170476	97.38 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 1.888→29.867 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	14957	0	378	977	16312

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	15540
X-RAY DIFFRACTION	f_angle_d	0.843	20973
X-RAY DIFFRACTION	f_dihedral_angle_d	4.913	9363
X-RAY DIFFRACTION	f_chiral_restr	0.045	2456
X-RAY DIFFRACTION	f_plane_restr	0.004	2669

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
1.8906-1.9379	0.2481	139	0.2314	11520	X-RAY DIFFRACTION	93
1.9379-1.9903	0.2549	139	0.2189	11847	X-RAY DIFFRACTION	96
1.9903-2.0488	0.2327	145	0.2101	11899	X-RAY DIFFRACTION	96
2.0488-2.115	0.2592	142	0.208	11931	X-RAY DIFFRACTION	96
2.115-2.1905	0.2644	142	0.1966	11971	X-RAY DIFFRACTION	96
2.1905-2.2782	0.209	142	0.1934	11982	X-RAY DIFFRACTION	97
2.2782-2.3818	0.255	145	0.1947	12019	X-RAY DIFFRACTION	97
2.3818-2.5074	0.2684	142	0.1987	11995	X-RAY DIFFRACTION	97
2.5074-2.6643	0.2408	144	0.2031	12092	X-RAY DIFFRACTION	97
2.6643-2.8699	0.2765	145	0.1984	12114	X-RAY DIFFRACTION	97
2.8699-3.1584	0.264	143	0.2005	12156	X-RAY DIFFRACTION	98
3.1584-3.6147	0.2288	145	0.1867	12167	X-RAY DIFFRACTION	98
3.6147-4.5514	0.2062	143	0.1669	12279	X-RAY DIFFRACTION	98
4.5514-29.2649	0.2453	145	0.1978	12378	X-RAY DIFFRACTION	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	6.3966	-2.3368	0.0432	1.5949	-1.1676	1.7895	0.0152	0.3277	-1.125	-0.0103	0.0718	-0.132	0.2379	0.033	-0.0355	0.0993	0.0386	0.0099	0.2226	-0.0523	0.2017	4.8474	-44.5872	28.6369
2	1.8356	-1.7506	-0.2931	3.1732	0.4368	0.7	-0.0658	-0.1	-0.1351	-0.0056	0.0282	0.0693	0.0553	-0.0028	0.0419	0.0529	-0.0283	-0.0066	0.1766	0.0215	0.0696	-9.9147	-29.1762	33.9203
3	4.2224	3.1974	-2.1102	3.2801	0.3091	6.7998	-0.0225	-0.2191	0.0056	0.363	0.1218	-0.945	0.2168	0.7983	0.1648	0.129	-0.0024	-0.1076	0.4102	-0.0553	0.3563	0.1444	-8.7715	34.3059
4	1.0485	-0.4394	-0.1078	1.1603	0.2121	0.4633	-0.0197	0.0193	-0.0474	0.0201	0.0271	-0.0085	0.0074	0.0269	-0.0042	0.0506	-0.0187	-0.014	0.1721	0.0011	0.0874	-4.8488	-28.1229	30.5408
5	1.6194	0.4526	0.1526	0.9305	0.1429	0.5199	-0.0711	0.1917	-0.2078	-0.0294	0.1117	-0.0255	0.0588	0.0895	-0.0422	0.0565	0.0249	-0.0168	0.2672	-0.0039	0.0648	25.3384	16.6361	42.3402
6	4.3157	-1.8332	-0.572	5.6611	-1.8323	5.8764	-0.1389	0.4334	0.2913	-0.2365	-0.025	1.1033	0.0087	-1.0359	0.1701	0.1543	0.0204	-0.0495	0.3135	-0.0054	0.313	18.7726	40.4468	40.556
7	0.8689	0.45	0.5501	1.3297	0.0558	0.7357	-0.0462	0.123	0.0356	-0.0611	0.0521	0.0347	0.0002	0.0007	0.0017	0.0446	0.007	-0.008	0.2692	0.0198	0.0925	26.7175	24.7255	42.027
8	2.9437	-0.207	0.1921	3.2605	-0.266	0.9145	-0.1006	0.1358	-0.121	0.1686	0.0769	-0.0231	0.007	0.0059	0.0227	0.0534	-0.0032	0.0034	0.2452	-0.0166	0.0671	17.4571	14.0609	49.6514
9	6.9906	-1.4643	0.9412	0.8547	0.6886	1.5729	-0.1907	0.4289	0.9803	-0.1205	-0.0142	0.1731	-0.3084	-0.1692	0.0867	0.09	0.0486	-0.0476	0.1737	-0.0107	0.2101	-23.4695	31.3087	50.7721
10	2.831	-1.9323	-0.2517	3.2585	0.1247	0.9935	0.0146	-0.2576	0.1137	-0.0149	-0.017	-0.1019	0.0377	0.019	0.0075	0.0619	-0.0108	-0.0212	0.1363	-0.017	0.0409	-8.6893	15.9755	55.77
11	3.7277	-0.2322	0.9627	3.9235	-0.3748	3.8189	-0.1305	-0.2963	-0.2873	0.321	-0.0123	0.4781	0.2696	-0.3932	0.1094	0.1547	-0.0429	0.0316	0.1709	0.0214	0.1577	-14.5992	-1.2541	52.5019
12	0.855	-0.2668	-0.0912	1.5457	0.0864	0.9445	-0.0071	-0.0844	-0.0009	0.0609	-0.0453	0.006	0.0158	-0.0381	0.052	0.0379	0.0004	-0.0164	0.155	0.0028	0.0771	-11.0134	12.9502	55.541
13	3.4623	0.5507	0.316	2.5058	-0.2151	0.6193	0.0106	-0.0038	0.0164	-0.0131	-0.0213	-0.0014	-0.0394	-0.0269	-0.0033	0.0328	0.0121	-0.0138	0.2029	-0.0351	0.05	-19.961	22.3246	47.292
14	5.5279	-0.0557	0.3677	2.0528	-0.6071	1.4159	-0.1742	0.1259	0.638	0.1468	0.1441	-0.1212	-0.227	0.1205	0.02	0.1015	0.0161	-0.0493	0.2375	0.0205	0.1588	38.8455	-18.9633	21.4336
15	2.2649	0.4341	0.0911	1.6367	0.3128	1.6967	-0.0978	0.0826	0.0304	0.005	0.0006	0.1891	0.0864	-0.0831	0.0981	0.0793	0.0025	-0.0073	0.2626	-0.0121	0.0516	22.1541	-42.3101	19.3614
16	6.2984	-0.7909	1.4902	3.408	2.3416	5.4032	-0.1318	0.1824	-0.4596	-0.7064	0.0893	-1.003	0.4938	1.2928	0.0755	0.2933	0.0657	0.1065	0.3123	0.0094	0.309	37.7027	-53.807	20.4272
17	0.5817	0.5594	-0.0674	1.3117	-0.1511	0.7388	-0.0565	0.0569	-0.0461	-0.0476	0.0395	-0.0136	0.0296	0.0543	0.0108	0.0549	0.0025	-0.0117	0.2464	0.0031	0.0914	29.6857	-37.9798	20.3443
18	4.3715	-0.8961	-0.2689	2.7164	0.5241	1.1655	-0.0298	0.0666	0.0811	0.0865	-0.0126	0.0035	-0.0413	0.0682	0.0378	0.0569	-0.0141	-0.032	0.1484	0.0244	0.0594	38.8365	-27.1244	27.7516
19	6.9671	-1.6873	-1.5956	1.1547	-0.2101	0.8365	-0.1701	0.4788	-0.7954	-0.0528	0.0865	-0.0364	0.2375	-0.0372	0.0627	0.1079	0.0171	0.0292	0.1252	-0.0215	0.2158	13.5089	-42.0085	65.8386
20	1.7234	-1.1791	-0.134	2.0192	0.0977	0.5942	-0.0255	0.0336	-0.1948	-0.0751	0.0118	0.1448	0.0862	-0.1236	0.024	0.0649	-0.0272	0.0053	0.1522	-0.0055	0.0767	-1.0927	-27.0897	72.1376
21	4.7911	0.0074	0.72	5.7211	1.1406	5.6131	0.0559	-0.2596	0.2219	0.1962	-0.0098	-0.7559	0.107	0.6905	0.0691	0.1238	-0.0252	-0.0375	0.2703	0.0247	0.1745	9.1441	-6.8533	72.9943
22	1.0074	-0.7538	0.2755	2.7946	-0.4946	0.9067	-0.0518	-0.0382	0.0018	0.1975	-0.0156	0.0594	0.0171	0.146	0.064	0.073	-0.0058	-0.0148	0.1711	-0.0096	0.0707	1.1284	-21.0353	77.7794
23	1.9043	-0.2677	-0.3173	1.8575	-0.1365	1.1606	0.0096	0.239	-0.0604	-0.0468	-0.0277	0.0591	0.0243	0.0652	0.0154	0.0625	0.0106	-0.0171	0.1465	-0.0247	0.064	5.8239	-28.8962	62.9
24	1.9366	1.0476	-0.3073	1.4968	-0.2337	0.579	-0.0562	-0.0032	-0.2584	-0.0403	-0.0161	-0.0802	0.0296	0.0007	0.0698	0.0649	0.0355	-0.0079	0.1595	-0.009	0.0932	16.5594	18.7371	4.3686
25	7.0299	-1.1775	0.3733	3.3983	1.1511	8.3011	0.141	0.0518	0.0493	-0.2411	-0.0129	0.6602	0.2719	-0.8257	0.0223	0.144	0.0072	-0.0733	0.1954	0.0323	0.2136	9.7202	42.6204	2.3121
26	1.0049	1.5682	0.7201	2.7017	1.2264	1.7638	-0.1491	0.1024	-0.0359	-0.1508	0.1025	-0.0698	0.041	0.1135	0.043	0.0904	0.0222	-0.008	0.1571	0.0056	0.0703	17.7496	28.3541	-2.7597
27	1.7201	0.6912	-0.1285	1.0327	0.0167	0.4171	0.1193	-0.1396	-0.0995	0.1731	-0.1776	0.0338	-0.0917	0.1443	0.0239	-0.0108	0.0228	-0.042	0.2564	0.0192	0.0877	13.0587	20.3483	12.1661
28	1.3388	-0.999	0.1235	1.9497	-0.1688	0.5658	-0.0555	0.0567	0.1909	0.084	-0.0108	-0.0968	-0.0635	-0.0123	0.0808	0.0725	-0.0368	-0.0255	0.2167	-0.0086	0.0735	-20.7307	22.7257	16.2184
29	5.6525	1.1499	1.7197	4.7323	-0.6335	6.2058	0.0603	-0.3706	-0.1825	0.414	0.0614	0.9031	0.2064	-0.9426	0.0772	0.1676	-0.0175	0.0494	0.222	0.0079	0.2225	-27.3615	-1.1356	19.0835
30	0.817	-0.4047	0.1877	1.0776	-0.2617	0.4738	-0.0132	0.0326	0.0131	0.0795	0.0012	0.0435	0.0006	-0.008	0.0104	0.0505	-0.0078	-0.0035	0.1777	-0.008	0.0771	-19.2711	14.7474	17.1274
31	3.9309	0.2151	0.4597	1.6621	-0.1811	0.7206	0.0636	-0.0157	0.0779	-0.1219	-0.0556	0.0668	-0.027	0.1042	-0.0216	0.0234	-0.0007	-0.0354	0.2385	-0.0067	0.0795	-28.6093	24.7011	8.7176
32	2.1971	1.1141	0.2471	1.8783	0.3197	0.7052	-0.12	0.0728	0.2278	-0.0581	0.0648	0.0635	-0.0925	-0.0501	0.0588	0.0721	0.0174	-0.0301	0.1317	0.0035	0.0672	39.6107	-26.6275	58.8473
33	4.1289	-0.1251	0.567	5.2593	-0.0195	3.3589	0.0373	0.2964	-0.0246	-0.4795	0.0174	-1.0414	0.2284	0.9442	0.0768	0.1585	0.0253	0.0446	0.3686	-0.0185	0.2423	46.2338	-50.5214	55.9774
34	0.5075	0.4231	0.2794	1.0874	0.2672	0.8917	-0.0311	0.0343	0.0218	-0.0565	-0.0065	-0.0105	-0.0549	0.041	0.0376	0.0464	0.0084	-0.0067	0.1449	-0.0014	0.0872	38.149	-34.6129	57.9038
35	3.4626	-0.5144	-0.4455	2.8356	0.2721	1.5383	-0.1197	-0.0657	0.083	-0.0371	0.0497	0.0059	-0.1328	0.0734	0.0598	0.0505	-0.0105	-0.0213	0.1178	0.0014	0.0551	47.5405	-24.6781	66.2659

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 24 through 38 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 39 through 84 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 85 through 103 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 104 through 270 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 24 through 84 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 85 through 103 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 104 through 217 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 218 through 270 )
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 24 through 38 )
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 39 through 84 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 85 through 119 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 120 through 217 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 218 through 270 )
14	X-RAY DIFFRACTION	14	chain 'D' and (resid 24 through 56 )
15	X-RAY DIFFRACTION	15	chain 'D' and (resid 57 through 84 )
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 85 through 103 )
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 104 through 217 )
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 218 through 270 )
19	X-RAY DIFFRACTION	19	chain 'E' and (resid 24 through 38 )
20	X-RAY DIFFRACTION	20	chain 'E' and (resid 39 through 84 )
21	X-RAY DIFFRACTION	21	chain 'E' and (resid 85 through 103 )
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 104 through 170 )
23	X-RAY DIFFRACTION	23	chain 'E' and (resid 171 through 270 )
24	X-RAY DIFFRACTION	24	chain 'F' and (resid 24 through 84 )
25	X-RAY DIFFRACTION	25	chain 'F' and (resid 85 through 103 )
26	X-RAY DIFFRACTION	26	chain 'F' and (resid 104 through 170 )
27	X-RAY DIFFRACTION	27	chain 'F' and (resid 171 through 270 )
28	X-RAY DIFFRACTION	28	chain 'G' and (resid 24 through 84 )
29	X-RAY DIFFRACTION	29	chain 'G' and (resid 85 through 103 )
30	X-RAY DIFFRACTION	30	chain 'G' and (resid 104 through 217 )
31	X-RAY DIFFRACTION	31	chain 'G' and (resid 218 through 270 )
32	X-RAY DIFFRACTION	32	chain 'H' and (resid 24 through 84 )
33	X-RAY DIFFRACTION	33	chain 'H' and (resid 85 through 103 )
34	X-RAY DIFFRACTION	34	chain 'H' and (resid 104 through 217 )
35	X-RAY DIFFRACTION	35	chain 'H' and (resid 218 through 270 )

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