PDB-5vjy: Crystal Structure of dUTP pyrophosphatase protein, from Naegleria...

ID or keywords:

Entry

Database: PDB / ID: 5vjy

Title

Crystal Structure of dUTP pyrophosphatase protein, from Naegleria fowleri

Components

dUTP pyrophosphatase

Keywords

HYDROLASE / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / SSGCID / dUTP pyrophosphatase

Function / homology

Function and homology information

dUTP catabolic process / dUMP biosynthetic process / dUTP diphosphatase / dUTP diphosphatase activity / magnesium ion binding
Similarity search - Function

Biological species

Naegleria fowleri (brain-eating amoeba)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: to be published
Title: Crystal Structure of dUTP pyrophosphatase protein, from Naegleria fowleri
Authors: Delker, S.L. / Abendroth, J. / Lorimer, D. / Edwards, T.E. / Seattle Structural Genomics Center for Infectious Disease (SSGCID)

History

Deposition	Apr 20, 2017	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 3, 2017	Provider: repository / Type: Initial release
Revision 1.1	May 24, 2017	Group: Database references
Revision 1.2	Oct 4, 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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5vjy.cif.gz	286.4 KB	Display	PDBx/mmCIF format
PDB format	pdb5vjy.ent.gz	233.6 KB	Display	PDB format
PDBx/mmJSON format	5vjy.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/vj/5vjy ftp://data.pdbj.org/pub/pdb/validation_reports/vj/5vjy	HTTPS FTP

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Related structure data

Related structure data	4oopS S: Starting model for refinement
Similar structure data	4gk6-1 4ooq-d 4ao5-1 6mai-1 1mq7-1 2xcd-1 3mdx-1 2hrm-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) 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: SSGCID-NafoA.01242.a

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#259 - Jul 2021 Designed Proteins and Citizen Science similarity (5)

Deposited unit

A: dUTP pyrophosphatase

B: dUTP pyrophosphatase

C: dUTP pyrophosphatase

D: dUTP pyrophosphatase

E: dUTP pyrophosphatase

hetero molecules

85.3 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: dUTP pyrophosphatase

hetero molecules

A: dUTP pyrophosphatase

hetero molecules

A: dUTP pyrophosphatase

hetero molecules

defined by author&software
51.3 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: dUTP pyrophosphatase

C: dUTP pyrophosphatase

D: dUTP pyrophosphatase

hetero molecules

defined by author&software
51.2 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

E: dUTP pyrophosphatase

hetero molecules

E: dUTP pyrophosphatase

hetero molecules

E: dUTP pyrophosphatase

hetero molecules

defined by author&software
51.2 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	118.640, 118.640, 98.980
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	173
Space group name H-M	P6₃

Components on special symmetry positions

ID	Model	Components
1	1	A-325- HOH
2	1	A-396- HOH
3	1	A-404- HOH
4	1	A-409- HOH
5	1	E-325- HOH
6	1	E-333- HOH
7	1	E-367- HOH
8	1	E-369- HOH

#1: Protein	dUTP pyrophosphatase / NafoA.01242.a.B1 Mass: 16843.117 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Naegleria fowleri (brain-eating amoeba) Strain: ATCC 30863 / Plasmid: NafoA.01242.a.B1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: A0A1Z0YU86*PLUS
#2: Chemical	ChemComp-BTB / 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / BIS-TRIS BUFFER Mass: 209.240 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₈H₁₉NO₅ / Comment: pH buffer*YM
#3: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₆O₂
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 486 / 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: 2.39 Å³/Da / Density % sol: 48.49 %
Crystal grow	Temperature: 290 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: MCSG1 C12: 0.1 M Bis-Tris: HCl, pH 6.5 25 % (w/v) PEG 3350 cryo:15% Ethylene Glycol. PW37974 22.5mg/mL, 0.4+0.4 puck xbp1-2

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 21-ID-F / Wavelength: 0.97856 Å

Detector

Type: RAYONIX MX-300 / Detector: CCD / Date: Mar 15, 2017 / Details: Beryllium Lenses

Radiation

Monochromator: Diamond [111] / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.97856 Å / Relative weight: 1

Reflection

Resolution: 2→34.248 Å / Num. obs: 53461 / % possible obs: 100 % / Observed criterion σ(I): -3 / Redundancy: 8.912 % / B_iso Wilson estimate: 30.44 Å² / CC_1/2: 1 / R_merge(I) obs: 0.054 / R_rim(I) all: 0.058 / Χ²: 1.027 / Net I/σ(I): 26.77

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	Num. unique obs	CC_1/2	R_rim(I) all	% possible all
2-2.05	8.919	0.533	4.12	3960	0.916	0.565	100
2.05-2.11	8.935	0.429	5.15	3833	0.947	0.455	100
2.11-2.17	8.934	0.344	6.48	3720	0.964	0.365	100
2.17-2.24	8.944	0.275	8.04	3660	0.977	0.292	100
2.24-2.31	8.947	0.234	9.55	3509	0.981	0.248	100
2.31-2.39	8.952	0.188	11.8	3366	0.988	0.199	100
2.39-2.48	8.96	0.155	14.08	3318	0.991	0.165	100
2.48-2.58	8.965	0.129	16.69	3154	0.994	0.137	100
2.58-2.7	8.969	0.112	19.1	3035	0.996	0.118	100
2.7-2.83	8.954	0.084	24.67	2909	0.997	0.09	100
2.83-2.98	8.963	0.064	31.08	2736	0.998	0.068	100
2.98-3.16	8.93	0.053	37.11	2628	0.999	0.056	100
3.16-3.38	8.92	0.041	47.01	2456	0.999	0.044	100
3.38-3.65	8.925	0.034	54.46	2291	0.999	0.036	100
3.65-4	8.95	0.028	63.12	2109	1	0.03	100
4-4.47	8.891	0.024	69.22	1910	1	0.026	100
4.47-5.16	8.869	0.023	72.35	1708	1	0.025	100
5.16-6.32	8.786	0.025	70.79	1414	1	0.026	100
6.32-8.94	8.589	0.023	72.14	1124	1	0.025	100
8.94-34.248	7.528	0.021	74.97	621	1	0.023	98.3

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHENIX	dev_2733	refinement
PDB_EXTRACT	3.22	data extraction
MoRDa		phasing
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4oop

4oop

Resolution: 2→34.248 Å / SU ML: 0.16 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 17.62

	R_factor	Num. reflection	% reflection
R_free	0.1765	2050	3.84 %
R_work	0.1423	-	-
obs	0.1436	53440	99.96 %

Solvent computation

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

Displacement parameters

B_iso max: 113.31 Å² / B_iso mean: 39.7166 Å² / B_iso min: 13.84 Å²

Refinement step

Cycle: final / Resolution: 2→34.248 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4996	0	74	498	5568
B_iso mean	-	-	47.79	42.35	-
Num. residues	-	-	-	-	658

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	5310
X-RAY DIFFRACTION	f_angle_d	0.879	7231
X-RAY DIFFRACTION	f_chiral_restr	0.064	817
X-RAY DIFFRACTION	f_plane_restr	0.005	947
X-RAY DIFFRACTION	f_dihedral_angle_d	10.969	3218

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 15 / % reflection obs: 100 %

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all
2-2.0465	0.2195	139	0.1821	3398	3537
2.0465-2.0977	0.2005	129	0.1716	3445	3574
2.0977-2.1544	0.2249	129	0.1683	3406	3535
2.1544-2.2178	0.2253	139	0.1556	3396	3535
2.2178-2.2893	0.193	140	0.159	3408	3548
2.2893-2.3711	0.1943	139	0.1503	3438	3577
2.3711-2.466	0.1919	125	0.1464	3415	3540
2.466-2.5782	0.1857	154	0.1481	3411	3565
2.5782-2.7141	0.2141	127	0.1612	3438	3565
2.7141-2.8841	0.1923	126	0.1506	3427	3553
2.8841-3.1066	0.194	147	0.1592	3406	3553
3.1066-3.419	0.1497	160	0.1438	3401	3561
3.419-3.9131	0.1723	142	0.1343	3440	3582
3.9131-4.9278	0.1465	132	0.1112	3457	3589
4.9278-34.2534	0.159	122	0.138	3504	3626

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	1.8563	1.1252	-2.0917	1.6685	0.7109	8.0354	0.1058	-0.7295	-0.3775	0.643	0.0262	0.064	0.0889	-0.4439	-0.1242	0.5874	0.0326	-0.0244	0.4263	0.1511	0.2678	-58.2498	18.2839	20.2404
2	2.4906	0.2985	0.7467	3.0439	2.8231	6.3406	0.0332	-0.0859	-0.4394	0.4323	-0.0071	0.2326	1.2033	0.0346	-0.017	0.5063	0.0093	-0.0185	0.1816	0.0873	0.2872	-55.6755	8.713	6.4097
3	5.6822	2.4509	0.5736	7.1774	2.7187	5.593	-0.052	-0.3925	0.2043	1.0802	0.0885	-1.6414	0.2311	0.3667	-0.0672	0.3627	0.0913	-0.1627	0.3309	0.0712	0.4383	-46.3901	22.2244	10.7769
4	1.7979	-0.3421	0.6781	2.3623	0.3738	3.2832	0.0197	0.0902	-0.1774	0.0237	0.0165	-0.0162	0.2635	0.0616	-0.0125	0.1535	-0.0024	0.0098	0.1361	0.0016	0.1201	-56.416	19.3606	-2.0641
5	2.9268	0.5422	-1.5819	2.0577	-0.9563	4.7029	-0.0901	-0.0608	-0.0839	0.0494	0.0362	-0.1923	0.0225	0.1352	0.0295	0.1368	0.0016	-0.0015	0.1117	-0.0074	0.1004	-52.6628	29.0826	-1.7673
6	1.5222	-0.2972	0.0113	3.5833	-1.2651	6.2357	0.0509	-0.076	-0.1337	-0.1024	-0.0329	0.0786	0.0706	0.119	-0.023	0.1127	-0.0114	-0.0122	0.1275	-0.015	0.1196	-59.7584	23.3426	-2.9864
7	8.5244	-3.9402	0.5443	7.5275	0.8944	4.5876	-0.178	0.1323	-0.6199	-0.4535	0.1089	-0.4082	0.368	0.0248	0.1216	0.2009	0.0215	0.0372	0.1604	-0.0454	0.1994	-48.7232	16.641	-8.539
8	4.7583	-1.909	-4.5566	6.0497	5.5342	8.9096	0.0008	-0.2866	-0.2589	0.1335	0.0231	-0.2058	-0.2898	0.3194	-0.1077	0.2079	0.0261	-0.0287	0.2126	0.0219	0.0664	-54.2884	26.0987	6.7497
9	2.7151	0.0513	0.9274	1.2199	-1.3526	5.0245	-0.2219	-0.9021	0.7205	0.4357	0.3955	0.3631	-0.6502	-0.8276	-0.1671	0.3826	0.0468	0.1013	0.4609	-0.0443	0.3194	-77.4505	40.7152	15.1548
10	9.6644	4.2053	-0.7534	2.934	-3.5415	9.4467	0.1768	-0.4427	-0.7827	0.2826	-0.5087	-0.2968	0.7034	0.3728	0.2486	0.3422	0.0185	-0.0298	0.2357	-0.0103	0.3111	-58.0426	0.4843	-10.0004
11	1.8578	1.4556	-1.3954	6.0651	-5.8168	5.5914	-0.1147	0.0979	-0.2225	0.1857	-0.2261	-0.8626	-0.2143	0.9976	0.4496	0.265	-0.0307	0.0676	0.3903	-0.0843	0.4346	-49.3525	9.3995	-21.4608
12	3.2573	0.3591	-1.3739	2.8176	-1.3001	5.2455	0.0236	0.1424	0.3183	-0.12	0.0648	-0.1239	-0.0619	0.0918	-0.0861	0.2077	-0.038	0.0245	0.2367	-0.0635	0.2862	-61.788	15.9176	-22.8928
13	3.6108	0.5409	-1.0891	2.2609	-1.5038	3.9237	-0.1481	0.2579	-0.0613	-0.5964	0.0342	-0.4625	0.4231	0.2187	0.1444	0.2908	0.0125	0.0665	0.2258	-0.1104	0.23	-59.1487	6.6329	-25.9475
14	2.7892	0.5049	0.3745	2.7877	-0.8238	2.3176	-0.0049	0.264	0.0356	-0.0829	0.0771	0.0253	0.2111	0.0249	-0.0715	0.2348	-0.0232	0.0235	0.2053	-0.0881	0.2141	-66.5054	9.189	-25.2126
15	3.018	0.8844	-0.0834	3.2647	-0.9994	3.6943	-0.0192	0.3437	0.3935	-0.2996	0.0609	-0.0788	-0.149	0.2641	-0.0289	0.2539	-0.0147	0.0446	0.2293	-0.0364	0.2722	-65.3727	15.5628	-28.4761
16	4.9394	1.8259	2.1979	6.7124	3.8995	5.6833	0.0826	0.0531	-0.9227	0.5126	-0.1275	0.5062	1.0212	-0.6411	-0.0811	0.6675	-0.147	0.1038	0.33	-0.0719	0.5712	-80.3459	-16.066	-21.4437
17	4.1288	-3.2671	2.9577	9.2721	-4.9201	8.6622	-0.2896	-0.6071	0.4991	0.8217	0.0847	0.6356	-0.098	-0.3	0.1819	0.3315	-0.0601	0.1561	0.351	-0.1656	0.5168	-86.9456	15.7342	-6.846
18	0.0871	-0.574	-0.4588	7.7007	3.6765	2.6297	-0.4806	-0.0152	-0.9244	0.856	-0.1691	1.0455	1.0834	-0.5338	0.4976	0.5141	-0.1234	0.2501	0.3766	-0.1689	0.9042	-91.213	4.7176	-13.9075
19	3.3313	-0.7313	0.6669	2.4485	-0.6995	1.709	0.0462	0.254	0.2258	-0.1625	-0.0932	0.5377	0.0627	-0.0967	0.0419	0.2408	-0.0286	-0.0297	0.2565	-0.0807	0.3952	-84.2937	14.5361	-23.2633
20	6.8056	3.4806	1.3011	6.0907	-0.7084	2.997	-0.1877	-0.6035	-0.4493	0.0618	0.0969	-0.8996	0.3515	0.5707	0.0837	0.3008	0.04	-0.0287	0.2506	-0.0442	0.2899	-54.6746	4.1682	-13.6018
21	5.6636	-1.3076	1.2368	2.0828	-1.9178	2.0392	-0.2209	-0.2098	-0.9482	0.5729	0.0566	0.4932	0.8908	-0.74	0.1288	0.6241	-0.1336	0.0982	0.3593	-0.0321	0.561	-79.4455	-14.5642	-15.5338
22	4.1737	-0.4464	0.7429	4.4346	-1.6059	7.408	-0.0278	0.6716	-1.0047	-0.4619	-0.5255	0.4825	1.2426	-0.8145	0.2839	0.5056	-0.1257	0.0001	0.4928	-0.2414	0.5871	-83.4277	-16.9345	-31.694
23	4.2616	4.993	5.7576	6.5143	6.3294	8.4309	0.3621	0.3175	-1.2725	0.4183	0.3704	-0.4508	0.5083	0.1299	-0.7633	0.3939	0.0289	-0.0222	0.3325	-0.1272	0.428	-68.6669	-12.1645	-25.5602
24	1.0869	-0.2624	0.509	3.2145	-0.3205	2.6301	-0.125	0.5676	-0.3595	-0.4625	0.0788	0.5244	0.4172	-0.3273	0.0715	0.4398	-0.136	-0.0317	0.4939	-0.1934	0.4517	-80.238	-5.4744	-34.3538
25	3.0378	1.5573	-1.705	3.8654	-2.4481	3.6093	-0.1314	0.5213	-0.1629	-0.3888	0.2048	0.0425	0.2486	-0.0534	0.0004	0.3699	-0.0652	-0.0122	0.3189	-0.1314	0.2641	-72.3712	1.4366	-31.9109
26	3.7339	2.6544	2.8364	7.9521	1.9768	2.1587	-0.0768	0.1235	-0.2753	0.0841	-0.2051	0.9213	0.3215	-0.6106	0.2461	0.2799	-0.0863	0.0251	0.3603	-0.1533	0.5867	-86.2204	-4.8563	-25.0484
27	7.3311	2.3616	1.9429	7.6881	-1.1824	4.6177	-0.5434	1.3475	0.3661	-1.1902	0.065	0.173	0.0324	-0.0475	0.4875	0.5438	-0.0194	-0.0655	0.5447	-0.0623	0.3224	-76.6252	5.5031	-41.456
28	1.3165	-0.3289	0.2508	1.58	-0.385	1.0744	-0.4393	0.6029	-0.4851	-0.6009	-0.1272	0.1173	0.178	-0.2684	0.2627	0.583	-0.1552	0.0413	0.4198	-0.2068	0.3823	-74.5597	-5.1604	-33.6238
29	5.1553	-1.9695	-1.1723	1.5118	1.9923	4.4547	-0.2545	-0.8163	0.636	0.9745	0.2277	0.7976	-0.1247	-0.2595	0.0822	0.5138	-0.0472	0.1818	0.4354	-0.1353	0.5761	-85.9109	12.6064	-5.592
30	9.3789	3.0117	0.2391	1.9732	-0.1194	2.0308	-0.2456	0.8719	0.8857	-1.6789	-0.4564	-0.7135	-0.5458	0.2105	0.7317	0.7633	-0.075	-0.0049	0.4557	0.1423	0.5838	-111.3792	13.7125	-38.2368
31	5.5453	-1.2952	2.6522	9.4008	3.732	3.7139	-0.6132	0.1927	1.1615	-0.6493	0.5227	-0.1836	-1.0126	0.5603	0.0847	0.3302	-0.0745	0.036	0.3032	0.0739	0.7373	-105.8706	22.4069	-24.9564
32	2.9669	2.2377	-1.0616	4.3898	-1.8259	6.1358	-0.0621	-0.1456	0.2674	0.1463	-0.0488	-0.3534	-0.3295	0.3326	0.1055	0.2151	0.0153	-0.0465	0.2383	-0.0111	0.5065	-108.0652	11.0106	-19.5896
33	3.9353	-1.007	3.2654	4.2256	-3.7098	7.4344	-0.0439	-0.2628	0.0295	0.2271	0.029	-0.2653	-0.0697	-0.2858	0.0829	0.1961	-0.0215	-0.0228	0.2344	-0.0011	0.4005	-111.1556	2.5217	-17.3809
34	6.1094	2.5456	-0.5048	5.1281	-2.7795	8.4733	-0.0145	0.3182	1.2381	-0.2136	0.0982	1.0679	-0.4531	-0.5106	-0.1005	0.2385	0.0509	-0.0044	0.2738	0.0321	0.6444	-118.2304	15.3292	-24.8345
35	7.0517	4.4092	-3.7735	6.0791	-0.6348	2.9579	0.6627	-1.0494	0.0898	0.9252	-0.6197	-0.3161	-0.4552	0.5876	-0.0431	0.3645	-0.0975	-0.1	0.4046	-0.0041	0.397	-107.4904	8.5313	-8.6543
36	9.2878	2.2175	6.5505	5.8164	2.4006	4.8466	-0.2699	0.5809	0.1704	0.0703	0.2062	-0.4329	-0.2204	0.8545	0.0713	0.2312	-0.0512	-0.0095	0.2951	0.0295	0.3402	-110.9918	5.8394	-25.3029
37	8.0398	0.1983	-1.4492	4.37	1.6663	5.4786	0.3179	0.7557	0.0233	-0.2004	-0.2743	1.1122	0.2929	-0.905	-0.0556	0.4065	-0.0103	-0.2065	0.4675	0.0067	0.5965	-138.0625	0.2639	-33.7562

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 0 through 7 )	A	0 - 7
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 8 through 16 )	A	8 - 16
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 17 through 26 )	A	17 - 26
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 27 through 58 )	A	27 - 58
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 59 through 78 )	A	59 - 78
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 79 through 101 )	A	79 - 101
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 102 through 108 )	A	102 - 108
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 109 through 117 )	A	109 - 117
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 118 through 130 )	A	118 - 130
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 0 through 7 )	B	0 - 7
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 8 through 16 )	B	8 - 16
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 17 through 42 )	B	17 - 42
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 43 through 58 )	B	43 - 58
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 59 through 90 )	B	59 - 90
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 91 through 117 )	B	91 - 117
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 118 through 131 )	B	118 - 131
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 0 through 16 )	C	0 - 16
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 17 through 26 )	C	17 - 26
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 27 through 117 )	C	27 - 117
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 118 through 131 )	C	118 - 131
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 0 through 7 )	D	0 - 7
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 8 through 16 )	D	8 - 16
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 17 through 26 )	D	17 - 26
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 27 through 58 )	D	27 - 58
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 59 through 78 )	D	59 - 78
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 79 through 90 )	D	79 - 90
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 91 through 101 )	D	91 - 101
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 102 through 117 )	D	102 - 117
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 118 through 130 )	D	118 - 130
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 0 through 7 )	E	0 - 7
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 8 through 16 )	E	8 - 16
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 17 through 58 )	E	17 - 58
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 59 through 78 )	E	59 - 78
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 79 through 90 )	E	79 - 90
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 91 through 108 )	E	91 - 108
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 109 through 117 )	E	109 - 117
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 118 through 131 )	E	118 - 131

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