PDB-4qvt: Crystal structure of predicted N-acyltransferase (ypeA) in comple...

ID or keywords:

Entry

Database: PDB / ID: 4qvt

Title

Crystal structure of predicted N-acyltransferase (ypeA) in complex with acetyl-CoA from Escherichia coli

Components

Acetyltransferase YpeA

Keywords

TRANSFERASE / structural genomics / NIAID / National Institute of Allergy and Infectious Diseases / Center for Structural Genomics of Infectious Diseases / CSGID / acetyltransferase

Function / homology

Function and homology information

acyltransferase activity, transferring groups other than amino-acyl groups / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups
Similarity search - Function

Biological species

Escherichia coli K-12 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.948 Å

Authors

Filippova, E.V. / Minasov, G. / Winsor, G. / Dubrovska, I. / Shuvalova, L. / Wolfe, A.J. / Anderson, W.F. / Center for Structural Genomics of Infectious Diseases (CSGID)

Citation

Journal: To be Published
Title: Crystal structure of predicted N-acyltransferase (ypeA) in complex with acetyl-CoA from Escherichia coli
Authors: Filippova, E.V. / Minasov, G. / Winsor, G. / Dubrovska, I. / Shuvalova, L. / Wolfe, A.J. / Anderson, W.F.

History

Deposition	Jul 15, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 30, 2014	Provider: repository / Type: Initial release
Revision 1.1	Nov 22, 2017	Group: Refinement description / Category: software / Item: _software.name
Revision 1.2	Sep 20, 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_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _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	4qvt.cif.gz	482.4 KB	Display	PDBx/mmCIF format
PDB format	pdb4qvt.ent.gz	404.8 KB	Display	PDB format
PDBx/mmJSON format	4qvt.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	4qvt_validation.pdf.gz	2.7 MB	Display	wwPDB validaton report
Full document	4qvt_full_validation.pdf.gz	2.7 MB	Display
Data in XML	4qvt_validation.xml.gz	48.6 KB	Display
Data in CIF	4qvt_validation.cif.gz	63 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/qv/4qvt ftp://data.pdbj.org/pub/pdb/validation_reports/qv/4qvt	HTTPS FTP

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Related structure data

Related structure data	3pdoS S: Starting model for refinement
Similar structure data	6bvc-1 2aow-1 4o7m-3 2pdo-2 5taj-d 2pdo-3 5u19-d 5egp-1 4h57-d 3byu-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
Other databases	TargetTrack: CSGID-IDP92645

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#146 - Feb 2012 Aminoglycoside Antibiotics similarity (4) #97 - Jan 2008 Circadian Clock Proteins similarity (4)

Deposited unit

A: Acetyltransferase YpeA

B: Acetyltransferase YpeA

C: Acetyltransferase YpeA

D: Acetyltransferase YpeA

E: Acetyltransferase YpeA

F: Acetyltransferase YpeA

G: Acetyltransferase YpeA

H: Acetyltransferase YpeA

hetero molecules

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

1

A: Acetyltransferase YpeA

B: Acetyltransferase YpeA

hetero molecules

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

2

C: Acetyltransferase YpeA

D: Acetyltransferase YpeA

hetero molecules

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

3

E: Acetyltransferase YpeA

F: Acetyltransferase YpeA

hetero molecules

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

4

G: Acetyltransferase YpeA

H: Acetyltransferase YpeA

hetero molecules

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

5

Idetical with deposited unit
defined by software

Unit cell

Length a, b, c (Å)	67.334, 139.968, 75.358
Angle α, β, γ (deg.)	90.00, 112.11, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Acetyltransferase YpeA Mass: 18299.643 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli K-12 (bacteria) / Gene: b2434, JW2427, ypeA / Plasmid: pMCSG28 / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 Magic References: UniProt: P76539, Transferases; Acyltransferases; Transferring groups other than aminoacyl groups
#2: Chemical	ChemComp-ACO / ACETYL COENZYME A Mass: 809.571 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula*: C₂₃H₃₈N₇O₁₇P₃S
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: SO₄
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 243 / 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: 45.27 %
Crystal grow	Temperature: 292 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: 0.2 M lithium sulfate, 25% w/v PEG3350, 0.1 M Bis-Tris, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-D / Wavelength: 0.9791 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jul 4, 2014 / Details: mirrors
Radiation	Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9791 Å / Relative weight: 1
Reflection	Resolution: 1.948→69.984 Å / Num. all: 92573 / Num. obs: 92573 / % possible obs: 98.6 % / Observed criterion σ(I): -3 / Redundancy: 4.6 % / B_iso Wilson estimate: 53.2 Å² / R_merge(I) obs: 0.073 / Net I/σ(I): 33.8
Reflection shell	Resolution: 1.948→1.98 Å / Redundancy: 3.9 % / R_merge(I) obs: 0.46 / Mean I/σ(I) obs: 2.05 / Num. unique all: 4492 / % possible all: 95.2

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Processing

Software

Name	Version	Classification
Blu-Ice	Max	data collection
PHASER		phasing
REFMAC	5.8.0069	refinement
HKL-3000		data reduction
HKL-3000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3PDO

3pdo

Resolution: 1.948→69.98 Å / Cor.coef. F_o:F_c: 0.969 / Cor.coef. F_o:F_c free: 0.956 / SU B: 10.493 / SU ML: 0.147 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.17 / ESU R Free: 0.156 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.23236	4600	5 %	RANDOM
R_work	0.18813	-	-	-
obs	0.19033	87793	98.06 %	-
all	-	87793	-	-

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: 55.082 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.41 Å²	0 Å²	1.17 Å²
2-	-	1.85 Å²	0 Å²
3-	-	-	-1.8 Å²

Refine analyze

Luzzati coordinate error obs: 0.29 Å

Refinement step

Cycle: LAST / Resolution: 1.948→69.98 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9140	0	458	243	9841

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.013	0.019	9843
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	9165
X-RAY DIFFRACTION	r_angle_refined_deg	1.871	2.019	13348
X-RAY DIFFRACTION	r_angle_other_deg	0.832	3	21035
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	2.878	5	1136
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	29.113	23.857	516
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	12.218	15	1679
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	13.993	15	96
X-RAY DIFFRACTION	r_chiral_restr	0.117	0.2	1386
X-RAY DIFFRACTION	r_gen_planes_refined	0.023	0.02	10992
X-RAY DIFFRACTION	r_gen_planes_other	0.018	0.02	2280
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	3.337	3.42	4555
X-RAY DIFFRACTION	r_mcbond_other	3.278	3.415	4546
X-RAY DIFFRACTION	r_mcangle_it	4.027	5.099	5682
X-RAY DIFFRACTION	r_mcangle_other	4.026	5.098	5683
X-RAY DIFFRACTION	r_scbond_it	4.895	4.151	5288
X-RAY DIFFRACTION	r_scbond_other	4.813	4.131	5249
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	6.582	6.077	7607
X-RAY DIFFRACTION	r_long_range_B_refined	8.399	16.627	11180
X-RAY DIFFRACTION	r_long_range_B_other	8.376	16.592	11126
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 1.948→1.998 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.294	324	-
R_work	0.258	5987	-
obs	-	-	91.03 %

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	0.2807	-0.1392	1.0449	4.7943	0.4983	4.1258	0.0658	-0.0881	-0.0339	0.197	-0.0506	0.5939	0.2929	-0.4165	-0.0152	0.0305	0.0046	0.0167	0.3281	0.0093	0.1613	-49.8399	-26.0055	88.9203
2	1.3431	-0.602	-1.8758	2.1583	0.3024	2.8738	0.127	0.2617	-0.0251	-0.4285	-0.1357	0.1993	-0.0509	-0.1621	0.0087	0.0995	0.0648	-0.0701	0.4466	0.0091	0.1167	-43.7188	-23.512	77.8251
3	1.1008	-0.1544	0.4176	1.4306	-0.1964	1.8382	0.0195	0.0207	-0.0246	0.0716	0.0193	0.267	-0.1883	-0.18	-0.0389	0.0373	0.0499	0.0071	0.2892	0.0143	0.0572	-44.0755	-14.8415	89.0506
4	5.8079	-0.5051	1.7291	2.8519	-0.8067	7.3634	0.0994	0.2345	-0.1569	-0.2072	-0.429	0.5628	-0.0243	-0.2781	0.3296	0.0869	0.1241	-0.03	0.2163	-0.0904	0.1573	-45.9679	-3.5757	78.7245
5	2.0799	-0.4848	-0.7636	4.5963	-0.3144	1.0447	0.1599	0.3011	0.1512	-0.4551	-0.1631	-0.1355	-0.065	-0.0179	0.0032	0.0875	0.037	-0.0095	0.2664	0.0188	0.0389	-33.8331	-11.2148	78.0593
6	5.9035	0.5279	-4.3364	4.6492	2.3041	7.0994	0.2197	0.3554	-0.0427	0.0773	-0.1427	-0.7165	0.2073	0.0628	-0.077	0.0637	0.0934	0.0179	0.2673	0.0305	0.1869	-10.2478	-20.7518	88.152
7	3.0499	-1.8392	0.4885	6.1792	1.0424	3.9014	0.0123	-0.1188	0.3496	0.0967	0.2192	-0.5501	-0.3083	0.5487	-0.2315	0.0449	-0.0903	-0.0094	0.2636	0.0435	0.1283	-13.6484	-7.1738	92.9647
8	1.1867	-0.4073	-0.5629	1.4009	-0.4038	1.226	0.1243	0.0726	0.1096	-0.0605	-0.1512	-0.3065	-0.113	0.2322	0.0269	0.0296	0.0009	0.0123	0.3332	0.0501	0.0823	-18.5889	-15.0419	85.1084
9	5.1836	5.8216	-2.4338	12.2268	-4.7356	1.9048	-0.0383	-0.1294	-0.0933	-0.0577	0.0789	-0.0673	-0.0537	-0.0376	-0.0406	0.1359	0.0243	0.0838	0.1188	0.0034	0.0928	-18.6562	-6.3741	73
10	1.5661	-0.7658	-0.493	1.892	0.801	3.1654	0.1629	0.1466	0.1302	-0.2344	-0.1691	-0.109	-0.2788	-0.1821	0.0062	0.0786	0.0251	0.0051	0.1869	0.0568	0.0271	-29.9981	-6.876	81.6879
11	2.5532	1.5474	-0.4505	4.4382	0.1415	3.3303	0.0452	-0.0245	0.0641	0.2387	-0.1273	-0.5402	-0.2484	0.394	0.0821	0.0567	0.0371	-0.0501	0.3535	0.005	0.1472	-6.8639	-36.6452	86.524
12	0.631	0.166	-0.3862	1.2897	-0.1665	0.9089	0.031	0.0425	-0.045	-0.019	-0.0628	-0.1834	0.0685	0.1781	0.0318	0.0178	0.0603	-0.0079	0.3557	-0.0327	0.0483	-13.6301	-44.5142	85.7803
13	3.2037	0.6999	0.2858	6.8205	-0.1945	1.4719	0.0699	0.5061	-0.3315	-0.4762	0.0184	-0.4363	0.197	0.1987	-0.0883	0.0917	0.099	0.002	0.285	-0.0981	0.0704	-13.9569	-58.9565	79.4226
14	3.8183	4.473	-1.1712	6.0405	-0.5586	1.25	-0.1112	0.1222	-0.1315	-0.3548	0.0851	-0.1634	-0.1069	0.003	0.0261	0.2095	0.0847	-0.0295	0.3995	-0.0398	0.0601	-25.2912	-40.3006	72.2273
15	3.0232	-0.5085	0.9278	4.9231	-0.665	3.7997	0.0571	-0.1329	-0.119	0.1931	0.2945	0.6845	-0.0058	-0.5008	-0.3516	0.013	0.0323	0.018	0.2333	0.02	0.1312	-46.4062	-47.6926	90.9742
16	1.2609	-0.0353	0.0043	1.22	-0.4826	0.8429	0.0649	0.2432	-0.0963	-0.1621	0.0048	0.2171	0.1105	-0.1094	-0.0697	0.0292	0.0213	-0.0358	0.2959	-0.0673	0.0555	-38.4875	-47.2234	83.5439
17	0.32	0.3101	-0.0222	1.3047	0.1009	0.0301	-0.0612	0.1668	-0.2104	-0.2462	0.0292	0.0987	0.0281	0.0282	0.032	0.23	0.1265	-0.0853	0.5569	-0.1416	0.259	-31.7954	-56.0268	80.4233
18	0.0724	0.0446	0.547	2.5772	1.6905	5.0092	0.1262	-0.0765	0.0738	-1.1611	-0.7837	-0.0894	0.1225	-0.8712	0.6575	0.7732	0.2269	0.1182	0.4719	0.0014	0.2817	-46.6782	-49.5218	106.184
19	3.1349	1.1233	1.4486	2.779	1.2279	4.8079	-0.0845	-0.1425	0.0907	0.4189	-0.2707	0.4623	0.0037	-0.319	0.3552	0.1005	0.0038	0.08	0.1728	-0.0364	0.0921	-44.3782	-43.3724	121.4761
20	0.7141	0.6052	-0.1792	1.299	-0.1504	0.9576	-0.0004	0.0519	-0.0199	0.0971	-0.0776	0.1981	0.0956	-0.0377	0.0781	0.0629	0.0101	0.0317	0.2557	-0.0157	0.0677	-38.1484	-51.1667	113.1019
21	2.9336	1.2075	-0.0809	1.5861	-1.4019	1.7332	0.0483	-0.2351	-0.2478	0.0927	-0.1554	-0.1696	-0.0468	0.0862	0.1071	0.197	0.0385	0.0508	0.3414	0.0654	0.0706	-29.574	-57.2587	121.9763
22	10.3682	3.9526	-0.6902	1.9242	0.6234	1.9298	-0.183	-0.1242	0.3161	-0.1225	0.0269	0.2019	-0.101	0.1568	0.1561	0.1542	0.0521	0.0415	0.1128	-0.0086	0.073	-39.6699	-39.0071	132.5983
23	11.3034	1.5966	-0.5115	5.1247	2.3255	1.3024	0.1341	-0.2132	0.6589	0.0773	0.0999	-0.3225	0.0403	0.1581	-0.234	0.1145	-0.0367	-0.0294	0.1843	-0.0205	0.0845	-8.1875	-35.3622	113.9854
24	1.4119	0.9235	-1.1162	2.3899	-0.3327	4.7307	-0.1114	-0.0135	-0.3709	0.0373	0.1694	-0.3079	0.0089	0.6521	-0.058	0.0952	0.0851	0.0207	0.4104	-0.0044	0.1559	-8.1475	-49.9756	108.6081
25	2.3187	-0.2741	-0.2117	0.7583	0.5016	0.6473	-0.1413	-0.2085	-0.0796	0.2135	0.1002	-0.0802	-0.0304	0.2844	0.0411	0.1841	0.0003	-0.0759	0.4375	0.0431	0.0422	-14.458	-42.4062	117.6451
26	12.0649	-7.5116	-4.7035	5.9513	3.783	3.3386	-0.1413	-0.4483	-0.2189	0.4746	0.1538	-0.2483	0.0682	0.408	-0.0125	0.3424	0.0539	-0.1499	0.3231	0.1177	0.1855	-12.2395	-52.504	129.5667
27	4.2556	0.7189	-1.3619	2.0132	-0.9146	0.8687	-0.2332	-0.2979	-0.9427	0.1894	-0.2326	-0.4754	0.1491	-0.1214	0.4658	0.2716	-0.1673	0.0683	0.5349	0.0333	0.2763	-21.5833	-55.5326	117.9981
28	4.0107	-1.0816	2.4596	3.6511	-3.0796	8.3342	0.3239	0.1457	-0.482	-0.1251	-0.0291	0.2695	0.3559	-0.2758	-0.2948	0.0504	-0.0067	-0.0348	0.0943	-0.0128	0.0689	-49.5212	-27.6503	110.6843
29	1.537	1.821	0.0247	7.543	-0.5124	4.556	0.0137	-0.0019	-0.0537	0.3733	0.1619	0.6246	-0.3507	-0.5378	-0.1756	0.0512	0.0734	0.0505	0.1912	0.0234	0.0931	-51.6434	-13.047	111.6874
30	0.7862	-0.1056	-0.3149	1.5603	-0.1925	1.2891	0.0014	-0.0321	-0.0715	0.2958	0.0357	0.2565	-0.1029	-0.1581	-0.0372	0.1415	0.0107	0.0385	0.2857	-0.0046	0.049	-43.302	-20.3598	117.7821
31	6.5395	-5.4259	0.6594	5.5769	0.8123	1.8214	0.1605	0.0761	-0.0386	0.1688	-0.1135	0.0354	0.3208	-0.1034	-0.0469	0.2935	0.0012	0.1474	0.1935	-0.012	0.1083	-44.2142	-16.1024	131.7961
32	2.7635	0.4844	0.2016	2.7798	0.8142	0.2566	-0.121	0.0023	0.7698	0.0831	0.0397	0.1458	-0.0537	0.0634	0.0813	0.406	-0.1315	-0.1161	0.3642	0.0168	0.2313	-34.4715	-5.8352	116.7281
33	5.6216	4.829	-2.8414	13.158	-1.514	1.5701	0.442	-0.0294	-0.2095	0.4437	-0.569	-0.5825	-0.239	0.0893	0.127	0.054	-0.0764	-0.0629	0.5009	0.2129	0.135	-11.5247	-15.2613	108.6506
34	3.9772	0.1449	-2.2167	4.0239	3.6686	8.2866	0.0588	0.0814	-0.1812	0.3322	0.1373	-0.8126	0.0485	0.5832	-0.1962	0.046	0.0071	-0.0942	0.289	0.0619	0.2316	-9.4437	-25.0793	114.2614
35	1.0112	0.1406	0.1764	2.2368	-0.3157	1.8291	0.0148	-0.093	0.0702	0.3962	-0.1765	-0.361	-0.2776	0.3646	0.1617	0.195	-0.0881	-0.1102	0.3868	0.025	0.0847	-18.3915	-14.0654	117.3414
36	12.678	-6.2821	4.5449	6.7665	2.2566	7.2098	-0.1927	-0.0154	0.6478	0.1569	-0.0508	-0.2928	0.0024	-0.0222	0.2435	0.2557	-0.1415	-0.0673	0.1957	-0.023	0.0722	-20.4502	-1.284	122.9499
37	1.7063	0.0565	-0.5575	5.3551	0.1077	1.8746	0.0376	-0.2377	0.1806	0.6659	-0.1957	0.136	-0.2508	0.068	0.1581	0.2465	-0.0434	-0.0708	0.249	-0.0399	0.0783	-30.3894	-11.0905	124.7335

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 16
2	X-RAY DIFFRACTION	2	A	17 - 38
3	X-RAY DIFFRACTION	3	A	39 - 109
4	X-RAY DIFFRACTION	4	A	110 - 119
5	X-RAY DIFFRACTION	5	A	120 - 139
6	X-RAY DIFFRACTION	6	B	1 - 6
7	X-RAY DIFFRACTION	7	B	7 - 27
8	X-RAY DIFFRACTION	8	B	28 - 111
9	X-RAY DIFFRACTION	9	B	112 - 118
10	X-RAY DIFFRACTION	10	B	119 - 139
11	X-RAY DIFFRACTION	11	C	1 - 20
12	X-RAY DIFFRACTION	12	C	21 - 108
13	X-RAY DIFFRACTION	13	C	109 - 127
14	X-RAY DIFFRACTION	14	C	128 - 141
15	X-RAY DIFFRACTION	15	D	1 - 20
16	X-RAY DIFFRACTION	16	D	21 - 112
17	X-RAY DIFFRACTION	17	D	113 - 146
18	X-RAY DIFFRACTION	18	E	1 - 5
19	X-RAY DIFFRACTION	19	E	6 - 33
20	X-RAY DIFFRACTION	20	E	34 - 111
21	X-RAY DIFFRACTION	21	E	112 - 136
22	X-RAY DIFFRACTION	22	E	137 - 145
23	X-RAY DIFFRACTION	23	F	1 - 6
24	X-RAY DIFFRACTION	24	F	7 - 33
25	X-RAY DIFFRACTION	25	F	34 - 109
26	X-RAY DIFFRACTION	26	F	110 - 119
27	X-RAY DIFFRACTION	27	F	120 - 141
28	X-RAY DIFFRACTION	28	G	1 - 9
29	X-RAY DIFFRACTION	29	G	10 - 26
30	X-RAY DIFFRACTION	30	G	27 - 111
31	X-RAY DIFFRACTION	31	G	112 - 123
32	X-RAY DIFFRACTION	32	G	124 - 141
33	X-RAY DIFFRACTION	33	H	1 - 6
34	X-RAY DIFFRACTION	34	H	7 - 13
35	X-RAY DIFFRACTION	35	H	14 - 112
36	X-RAY DIFFRACTION	36	H	113 - 118
37	X-RAY DIFFRACTION	37	H	119 - 138

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