PDB-5g3o: Bacillus cereus formamidase (BceAmiF) inhibited with urea.

ID or keywords:

Entry

Database: PDB / ID: 5g3o

Title

Bacillus cereus formamidase (BceAmiF) inhibited with urea.

Components

FORMAMIDASE

Keywords

HYDROLASE / FORMAMIDASE / AMIDASE / NITRILASE SUPERFAMILY

Function / homology

Function and homology information

formamidase / formamidase activity / N-carbamoylputrescine amidase activity / putrescine biosynthetic process from arginine / :
Similarity search - Function

Biological species

BACILLUS CEREUS (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.15 Å

Authors

Gavira, J.A. / Martinez-Rodriguez, S. / Conejero-Muriel, M.

Citation

Journal: Arch.Biochem.Biophys. / Year: 2019
Title: A novel cysteine carbamoyl-switch is responsible for the inhibition of formamidase, a nitrilase superfamily member.
Authors: Martinez-Rodriguez, S. / Conejero-Muriel, M. / Gavira, J.A.

History

Deposition	Apr 29, 2016	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Apr 12, 2017	Provider: repository / Type: Initial release
Revision 1.1	Mar 7, 2018	Group: Structure summary / Category: audit_author / Item: _audit_author.name
Revision 1.2	Mar 6, 2019	Group: Data collection / Derived calculations / Experimental preparation Category: exptl_crystal_grow / struct_conn Item: _exptl_crystal_grow.method / _struct_conn.pdbx_leaving_atom_flag
Revision 1.3	Jul 17, 2019	Group: Data collection / Database references / Category: citation Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.4	Jan 10, 2024	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 / 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 / _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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Download

PDBx/mmCIF format	5g3o.cif.gz	704.2 KB	Display	PDBx/mmCIF format
PDB format	pdb5g3o.ent.gz	591.8 KB	Display	PDB format
PDBx/mmJSON format	5g3o.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	5g3o_validation.pdf.gz	543.8 KB	Display	wwPDB validaton report
Full document	5g3o_full_validation.pdf.gz	564.3 KB	Display
Data in XML	5g3o_validation.xml.gz	65.9 KB	Display
Data in CIF	5g3o_validation.cif.gz	86.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/g3/5g3o ftp://data.pdbj.org/pub/pdb/validation_reports/g3/5g3o	HTTPS FTP

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Related structure data

Related structure data	5g3pSC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6int-1 6int-2 6vk3-d 4y6q-d 1i33-2 6jow-1 3ojy-d 5gsl-d 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: FORMAMIDASE

B: FORMAMIDASE

C: FORMAMIDASE

D: FORMAMIDASE

E: FORMAMIDASE

F: FORMAMIDASE

hetero molecules

236 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	142.689, 149.754, 97.220
Angle α, β, γ (deg.)	90.00, 98.68, 90.00
Int Tables number	5
Space group name H-M	C121

Components on special symmetry positions

ID	Model	Components
1	1	E-2008- HOH

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Protein , 1 types, 6 molecules ABCDEF

#1: Protein	FORMAMIDASE / BCEAMIF / FORMAMIDE AMIDOHYDROLASE Mass: 38716.750 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Details: UREA BOUNDED AT CYSTEINE 165, IN ALL THE CHAINS. / Source: (gene. exp.) BACILLUS CEREUS (bacteria) / Plasmid: PET21B / Production host: ESCHERICHIA COLI BL21(DE3) (bacteria) References: UniProt: E5LR94, UniProt: P59701*PLUS, formamidase

#1: Protein

FORMAMIDASE / BCEAMIF / FORMAMIDE AMIDOHYDROLASE

Mass: 38716.750 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Details: UREA BOUNDED AT CYSTEINE 165, IN ALL THE CHAINS. / Source: (gene. exp.)

BACILLUS CEREUS (bacteria) / Plasmid: PET21B / Production host:

ESCHERICHIA COLI BL21(DE3) (bacteria)
References: UniProt: E5LR94, UniProt: P59701*PLUS, formamidase

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Non-polymers , 5 types, 444 molecules

#2: Chemical	... ChemComp-PEG / DI(HYDROXYETHYL)ETHER Mass: 106.120 Da / Num. of mol.: 23 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#3: Chemical	ChemComp-PG4 / TETRAETHYLENE GLYCOL Mass: 194.226 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₈H₁₈O₅ / Comment: precipitant*YM
#4: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: PO₄
#5: Chemical	ChemComp-P4G / 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE Mass: 162.227 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₈H₁₈O₃
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 415 / 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: 2.25 Å³/Da / Density % sol: 45.41 % / Description: NONE
Crystal grow	Method: counter-diffusion / pH: 4 Details: CAPILLARY COUNTER DIFFUSION: 20% PEG 400, 15% PEG 4K, 10% PEG 8K, NAAC 0.1M PH 4.0 SOAKED WITH 250 MM UREA

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.979
Detector	Type: DECTRIS PILATUS / Detector: PIXEL / Date: Apr 19, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 2.15→45.48 Å / Num. obs: 108536 / % possible obs: 99 % / Observed criterion σ(I): 2 / Redundancy: 3 % / B_iso Wilson estimate: 40.08 Å² / R_merge(I) obs: 0.04 / Net I/σ(I): 18.3
Reflection shell	Resolution: 2.15→2.23 Å / Redundancy: 3.1 % / R_merge(I) obs: 0.47 / Mean I/σ(I) obs: 2.55 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
XDS		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 5G3P

5g3p

Resolution: 2.15→47.058 Å / SU ML: 0.21 / σ(F): 1.35 / Phase error: 19.67 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2021	5441	5 %
R_work	0.1786	-	-
obs	0.1793	108523	99.22 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 45.41 Å²

Refinement step

Cycle: LAST / Resolution: 2.15→47.058 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13021	0	219	415	13655

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	14687
X-RAY DIFFRACTION	f_angle_d	0.625	20019
X-RAY DIFFRACTION	f_dihedral_angle_d	15.206	8822
X-RAY DIFFRACTION	f_chiral_restr	0.048	2086
X-RAY DIFFRACTION	f_plane_restr	0.005	2630

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 (%)
2.15-2.1744	0.2601	179	0.2341	3423	X-RAY DIFFRACTION	100
2.1744-2.2	0.2676	172	0.238	3526	X-RAY DIFFRACTION	100
2.2-2.2268	0.2644	159	0.2281	3402	X-RAY DIFFRACTION	100
2.2268-2.255	0.2649	194	0.2301	3442	X-RAY DIFFRACTION	100
2.255-2.2847	0.2641	176	0.2245	3421	X-RAY DIFFRACTION	99
2.2847-2.316	0.2402	171	0.2085	3468	X-RAY DIFFRACTION	99
2.316-2.3491	0.2327	176	0.2032	3399	X-RAY DIFFRACTION	99
2.3491-2.3841	0.263	184	0.2072	3398	X-RAY DIFFRACTION	99
2.3841-2.4214	0.2141	153	0.1975	3433	X-RAY DIFFRACTION	99
2.4214-2.4611	0.2055	190	0.1972	3447	X-RAY DIFFRACTION	100
2.4611-2.5035	0.2158	188	0.193	3436	X-RAY DIFFRACTION	100
2.5035-2.5491	0.2036	192	0.1842	3428	X-RAY DIFFRACTION	100
2.5491-2.5981	0.211	190	0.1822	3437	X-RAY DIFFRACTION	100
2.5981-2.6511	0.2258	193	0.1827	3456	X-RAY DIFFRACTION	100
2.6511-2.7087	0.2194	214	0.1831	3402	X-RAY DIFFRACTION	100
2.7087-2.7718	0.2193	182	0.1769	3452	X-RAY DIFFRACTION	100
2.7718-2.8411	0.2087	176	0.17	3441	X-RAY DIFFRACTION	100
2.8411-2.9179	0.1943	186	0.1731	3454	X-RAY DIFFRACTION	100
2.9179-3.0037	0.1859	175	0.1739	3422	X-RAY DIFFRACTION	99
3.0037-3.1006	0.1919	200	0.1745	3412	X-RAY DIFFRACTION	99
3.1006-3.2114	0.2113	190	0.1771	3412	X-RAY DIFFRACTION	99
3.2114-3.34	0.1982	195	0.1718	3479	X-RAY DIFFRACTION	100
3.34-3.4919	0.1915	167	0.1643	3449	X-RAY DIFFRACTION	99
3.4919-3.676	0.198	197	0.1547	3410	X-RAY DIFFRACTION	99
3.676-3.9062	0.1771	169	0.152	3466	X-RAY DIFFRACTION	99
3.9062-4.2076	0.1686	169	0.1554	3438	X-RAY DIFFRACTION	99
4.2076-4.6307	0.1556	181	0.1377	3403	X-RAY DIFFRACTION	98
4.6307-5.3	0.1578	179	0.1473	3423	X-RAY DIFFRACTION	99
5.3-6.6744	0.1975	167	0.1856	3476	X-RAY DIFFRACTION	99
6.6744-47.0693	0.2201	177	0.1923	3427	X-RAY DIFFRACTION	96

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	0.8636	0.1503	0.0229	2.6681	0.0995	2.552	0.1583	0.0387	0.1915	-0.0196	-0.2546	-0.3219	-0.0838	0.0952	-0.0192	0.2485	-0.0742	0.0084	0.2686	-0.0294	0.2188	40.2684	6.4176	49.1718
2	4.598	-3.8827	1.1243	5.8711	-0.4977	1.5087	0.2268	-0.44	0.3978	0.0189	-0.0567	-0.7222	-0.0332	0.2262	-0.019	0.3699	-0.0848	0.0007	0.4488	-0.0221	0.3394	45.4552	7.0429	57.7387
3	2.2289	-0.1986	0.3374	2.5624	-0.2679	1.5002	0.1125	-0.2535	-0.2724	0.2193	-0.0683	-0.0747	0.1535	0.0668	-0.0317	0.3106	-0.0861	-0.0196	0.3503	0.0469	0.3019	38.7507	-3.8065	54.6237
4	2.1922	0.5026	0.6592	1.3507	-0.149	0.59	0.0823	-0.0124	-0.2307	0.0239	-0.0081	0.0518	0.201	-0.0815	-0.0429	0.3371	-0.063	0.002	0.358	-0.0106	0.3638	29.1847	-3.3496	42.3267
5	3.4686	-0.0145	0.0674	0.5598	-0.3261	0.6691	0.0169	-0.005	0.1662	-0.0121	-0.0251	0.1588	0.0403	-0.1086	0.0067	0.3259	-0.0342	-0.0001	0.3301	-0.0327	0.3534	31.1019	7.2251	40.9317
6	4.3677	-2.4282	0.6233	8.641	0.5815	4.6931	0.3046	-0.0489	-1.0006	-0.5208	-0.0457	0.1868	0.8128	0.1901	-0.2008	0.5081	-0.0951	-0.018	0.4157	0.1283	0.4718	18.5051	-19.3306	35.58
7	2.5458	0.2093	0.2027	3.0113	0.4273	2.1084	0.0234	0.7897	0.0881	-0.4169	0.0457	0.1579	-0.0201	-0.1102	-0.074	0.415	0.0718	-0.0236	0.5812	0.0738	0.3221	26.6028	20.7234	-10.4299
8	4.4111	0.2872	0.4793	5.5766	1.8524	3.3322	0.1051	0.8223	-0.3378	-0.0966	0.0016	-0.2748	0.0541	0.4031	-0.1316	0.343	0.0835	0.0574	0.6116	0.0253	0.3452	38.8732	17.0194	-9.3402
9	2.2813	1.161	0.4193	0.5212	0.4302	0.6301	0.0956	0.088	0.0323	-0.0359	-0.0791	-0.0854	0.0138	0.0963	-0.0219	0.3429	0.0573	0.0232	0.4185	0.0387	0.3677	37.228	17.4455	4.8156
10	7.872	-5.1666	-3.2807	5.3234	1.7533	6.7069	-0.2158	0.7888	-0.8346	-0.4287	0.1416	-0.4156	0.3926	1.0547	0.069	0.3863	0.0026	0.101	0.6364	0.0311	0.3349	60.6125	7.3893	-3.1215
11	1.5838	-0.2797	-0.9214	2.7646	-1.2994	1.7351	0.041	-0.4679	0.1958	-0.0503	-0.2631	0.2319	-0.0646	0.0384	0.2468	0.3	0.0644	0.029	0.3162	0.0335	0.24	58.3075	4.0476	28.9192
12	5.1287	5.1332	1.7106	5.3484	0.7516	3.3675	0.2007	-0.5773	0.0349	0.7321	-0.3701	-0.1509	0.0679	0.6124	0.2547	0.3926	0.0922	-0.0088	0.4541	0.0541	0.3672	65.4798	0.8208	34.8129
13	1.9444	1.6081	-0.4081	2.0571	-0.7711	1.0648	0.1605	-0.232	0.1544	0.0948	-0.2588	0.2369	0.1166	0.298	-0.0385	0.3579	0.0899	0.0347	0.3924	0.0171	0.3358	60.2217	2.6505	27.0073
14	3.9254	1.0505	-0.1869	6.1136	-0.5001	2.0681	0.1402	-0.2066	0.4641	0.2993	-0.1732	-0.5877	-0.0577	0.6495	-0.0327	0.3899	0.0111	0.0296	0.5541	0.0243	0.4201	74.89	13.2133	25.3412
15	3.3361	1.8739	-0.355	2.8593	-0.3928	1.7753	0.0601	-0.1837	-0.467	0.0046	-0.1553	-0.5256	0.3557	0.4864	0.1004	0.3657	0.1078	0.0495	0.4688	0.0196	0.3886	67.3276	-4.2961	25.9645
16	3.8393	1.754	-0.9936	3.2043	-0.6379	2.2824	-0.1021	0.2642	0.2767	-0.1771	0.1013	-0.2227	-0.1118	0.6623	0.062	0.3369	0.0658	0.0592	0.5781	0.0128	0.3888	73.6089	7.6752	16.9109
17	2.6241	0.9607	0.3067	4.6727	-2.1293	3.5786	-0.138	-0.008	0.2302	-0.1724	-0.0329	-0.3803	-0.226	0.2689	0.2487	0.3365	0.0741	0.0201	0.4985	-0.0251	0.3073	65.4537	7.3105	16.4233
18	2.4963	2.5507	-0.8635	6.0941	-1.4663	2.3839	-0.0014	0.3715	-0.4087	-0.2376	-0.0314	-0.3272	0.3271	0.4044	0.2197	0.4092	0.1171	0.0656	0.492	-0.0052	0.3338	62.312	0.5787	12.2508
19	1.7847	0.8491	0.3396	0.4452	0.0769	1.1956	-0.1182	0.2134	0.0618	-0.228	0.1822	-0.1218	-0.1075	0.2648	-0.048	0.4006	0.0873	0.0395	0.4512	-0.0061	0.3496	56.1395	7.7503	12.0275
20	2.6229	0.8776	1.2379	7.3977	5.2533	3.8771	-0.0624	0.1108	0.2604	0.3536	-0.0034	0.0473	0.2407	-0.0434	0.0306	0.3797	0.049	0.0413	0.3953	0.0107	0.3558	46.9238	11.8054	15.687
21	1.1252	-0.2339	0.4156	0.9853	0.7554	2.1721	0.0295	0.1501	-0.0283	-0.1757	-0.1255	0.0089	0.1645	-0.0571	0.083	0.3112	0.0218	0.0492	0.349	0.0228	0.2823	49.4137	6.3526	24.0738
22	4.3161	4.4172	-3.772	5.1296	-5.8349	9.0053	-0.328	0.5101	-0.0469	-0.438	0.24	-0.3344	0.2516	-0.0988	0.032	0.3066	0.1339	0.1074	0.5059	-0.0922	0.409	53.0119	5.7535	-1.5948
23	2.126	-0.0692	-0.4549	1.5277	0.1565	2.741	-0.0699	-0.1895	0.4113	0.1895	0.0435	-0.3622	-0.2503	0.2357	0.0078	0.3078	-0.0159	-0.0411	0.2581	-0.028	0.4644	52.589	36.1628	42.0606
24	4.4647	-2.3404	0.885	1.3707	0.0405	2.261	-0.403	-0.4984	-0.2003	0.407	0.5214	0.3372	-0.4208	-0.8434	-0.1491	0.4654	0.0123	0.0223	0.4682	-0.0512	0.483	35.7421	37.7506	46.9724
25	1.0093	-1.0144	1.0875	1.6196	-0.5992	1.1573	0.0447	0.0195	0.2227	-0.0741	-0.1164	-0.0603	-0.1308	-0.0256	0.0855	0.3195	0.0078	0.0125	0.3013	0.0002	0.4201	38.8698	31.2964	31.0749
26	8.8025	-1.7877	-1.16	4.5442	1.1626	0.353	-0.2432	-0.8107	0.633	-0.0071	0.1203	0.4109	-0.7194	-0.75	-0.0398	0.5163	0.0637	-0.0742	0.3174	-0.0802	0.4839	17.7748	47.034	34.2185
27	1.2858	0.3165	0.504	2.1013	-0.8856	2.5066	-0.0658	-0.0585	0.1442	-0.0769	-0.0741	0.4757	-0.2083	-0.3912	0.0976	0.3074	0.0337	-0.0495	0.4323	-0.0823	0.4753	1.1703	26.065	17.4588
28	3.5082	0.747	0.3663	5.5573	-0.8872	6.1289	-0.1325	0.0257	0.6225	0.0014	-0.0583	0.1377	-0.9215	0.065	0.2669	0.3597	0.1184	-0.0879	0.3237	-0.0775	0.4335	6.3026	38.7882	21.9825
29	0.6199	-0.4376	0.7186	1.2195	0.46	2.4235	-0.0446	-0.0825	0.148	0.0758	-0.0483	0.0666	-0.0791	-0.0818	0.0978	0.2998	0.0074	-0.0174	0.3292	-0.0572	0.3862	17.0118	25.8238	27.4301
30	4.6904	-0.3524	1.1011	2.1579	-2.5226	6.2644	-0.1486	-0.3589	0.5548	0.2827	-0.0731	0.1125	-0.6773	-0.025	0.2256	0.5781	0.0804	0.0304	0.4208	-0.1252	0.4501	25.577	46.9568	37.714
31	1.4637	1.7539	-1.1074	3.3277	0.4871	3.7185	-0.3176	0.043	0.7266	0.0099	0.2164	-0.0389	0.1378	-0.1791	0.0535	0.4322	-0.0049	-0.1072	0.2882	-0.0384	0.2486	15.5538	-2.5859	9.2318
32	8.7786	-0.7704	-1.8675	1.0845	0.148	3.1623	0.0553	0.6194	0.4611	-0.3793	0.0722	0.2376	0.0838	-0.3667	-0.1883	0.5794	0.0027	-0.1253	0.4618	-0.0441	0.404	10.2061	-5.2802	1.2388
33	3.8422	0.1624	-0.4828	1.4308	-0.3545	2.7075	0.1729	0.1518	-0.3257	-0.2589	0.0479	0.1868	0.4496	-0.3655	-0.1508	0.4777	-0.0699	-0.1518	0.3692	0.0129	0.3726	8.863	-10.0152	8.9077
34	6.7472	-2.0116	-2.5009	2.5748	0.2596	6.1064	0.121	-0.0523	-0.7567	-0.1059	-0.0772	0.33	0.5813	-0.3884	0.0413	0.5439	-0.1279	-0.2025	0.2988	-0.0067	0.466	9.3104	-17.8209	14.5644
35	8.8104	-1.8053	-1.3255	3.4268	-1.0141	6.2386	-0.2711	-1.134	0.151	0.726	0.5987	0.3753	-0.1505	-0.782	-0.3427	0.4517	-0.0002	-0.0944	0.6033	-0.0028	0.4136	7.0238	-9.4314	26.009
36	1.4985	-0.8667	0.726	1.5602	-0.9969	0.4219	0.065	-0.008	-0.0351	-0.0866	-0.017	0.0263	0.1874	-0.0759	-0.0124	0.4069	-0.0078	-0.0505	0.3429	-0.0162	0.3413	21.34	-3.6748	21.0465
37	2.3632	-1.2285	0.6221	2.8872	-1.0378	1.3731	0.3122	0.2687	-0.0764	-0.4193	-0.3401	-0.2274	0.5138	0.1056	0.0942	0.468	0.0338	-0.0023	0.4345	0.0008	0.453	34.2741	-11.6461	16.2223
38	9.3264	0.3584	-4.037	5.6861	-0.5516	2.3087	0.1059	-0.5526	-0.4095	0.9727	0.1581	0.0842	0.475	0.0804	-0.2446	0.5945	-0.108	-0.1582	0.4668	0.0557	0.5463	21.253	-16.8318	41.9637

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN 'A' AND (RESID 12 THROUGH 28 )
2	X-RAY DIFFRACTION	2	CHAIN 'A' AND (RESID 29 THROUGH 49 )
3	X-RAY DIFFRACTION	3	CHAIN 'A' AND (RESID 50 THROUGH 141 )
4	X-RAY DIFFRACTION	4	CHAIN 'A' AND (RESID 142 THROUGH 210 )
5	X-RAY DIFFRACTION	5	CHAIN 'A' AND (RESID 211 THROUGH 267 )
6	X-RAY DIFFRACTION	6	CHAIN 'A' AND (RESID 268 THROUGH 308 )
7	X-RAY DIFFRACTION	7	CHAIN 'B' AND (RESID 12 THROUGH 120 )
8	X-RAY DIFFRACTION	8	CHAIN 'B' AND (RESID 121 THROUGH 163 )
9	X-RAY DIFFRACTION	9	CHAIN 'B' AND (RESID 164 THROUGH 267 )
10	X-RAY DIFFRACTION	10	CHAIN 'B' AND (RESID 268 THROUGH 307 )
11	X-RAY DIFFRACTION	11	CHAIN 'C' AND (RESID 12 THROUGH 28 )
12	X-RAY DIFFRACTION	12	CHAIN 'C' AND (RESID 29 THROUGH 49 )
13	X-RAY DIFFRACTION	13	CHAIN 'C' AND (RESID 50 THROUGH 67 )
14	X-RAY DIFFRACTION	14	CHAIN 'C' AND (RESID 68 THROUGH 82 )
15	X-RAY DIFFRACTION	15	CHAIN 'C' AND (RESID 83 THROUGH 105 )
16	X-RAY DIFFRACTION	16	CHAIN 'C' AND (RESID 106 THROUGH 120 )
17	X-RAY DIFFRACTION	17	CHAIN 'C' AND (RESID 121 THROUGH 141 )
18	X-RAY DIFFRACTION	18	CHAIN 'C' AND (RESID 142 THROUGH 163 )
19	X-RAY DIFFRACTION	19	CHAIN 'C' AND (RESID 164 THROUGH 192 )
20	X-RAY DIFFRACTION	20	CHAIN 'C' AND (RESID 193 THROUGH 210 )
21	X-RAY DIFFRACTION	21	CHAIN 'C' AND (RESID 211 THROUGH 258 )
22	X-RAY DIFFRACTION	22	CHAIN 'C' AND (RESID 259 THROUGH 307 )
23	X-RAY DIFFRACTION	23	CHAIN 'D' AND (RESID 12 THROUGH 131 )
24	X-RAY DIFFRACTION	24	CHAIN 'D' AND (RESID 132 THROUGH 151 )
25	X-RAY DIFFRACTION	25	CHAIN 'D' AND (RESID 152 THROUGH 267 )
26	X-RAY DIFFRACTION	26	CHAIN 'D' AND (RESID 268 THROUGH 307 )
27	X-RAY DIFFRACTION	27	CHAIN 'E' AND (RESID 12 THROUGH 105 )
28	X-RAY DIFFRACTION	28	CHAIN 'E' AND (RESID 106 THROUGH 151 )
29	X-RAY DIFFRACTION	29	CHAIN 'E' AND (RESID 152 THROUGH 268 )
30	X-RAY DIFFRACTION	30	CHAIN 'E' AND (RESID 269 THROUGH 307 )
31	X-RAY DIFFRACTION	31	CHAIN 'F' AND (RESID 12 THROUGH 28 )
32	X-RAY DIFFRACTION	32	CHAIN 'F' AND (RESID 29 THROUGH 49 )
33	X-RAY DIFFRACTION	33	CHAIN 'F' AND (RESID 50 THROUGH 105 )
34	X-RAY DIFFRACTION	34	CHAIN 'F' AND (RESID 106 THROUGH 131 )
35	X-RAY DIFFRACTION	35	CHAIN 'F' AND (RESID 132 THROUGH 151 )
36	X-RAY DIFFRACTION	36	CHAIN 'F' AND (RESID 152 THROUGH 251 )
37	X-RAY DIFFRACTION	37	CHAIN 'F' AND (RESID 252 THROUGH 267 )
38	X-RAY DIFFRACTION	38	CHAIN 'F' AND (RESID 268 THROUGH 307 )

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