PDB-5a5h: The crystal structure of the GST-like domains complex of EPRS C92...

ID or keywords:

Entry

Database: PDB / ID: 5a5h

Title

The crystal structure of the GST-like domains complex of EPRS C92SC105SC123S mutant-AIMP2

Components

AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONA L PROTEIN 2
BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE

Keywords

TRANSLATION /

EPRS / AIMP2 / GST-LIKE DOMAIN

Function / homology

Function and homology information

type II pneumocyte differentiation / regulation of long-chain fatty acid import into cell / Selenoamino acid metabolism /

glutamate-tRNA ligase /

glutamate-tRNA ligase activity / aminoacyl-tRNA synthetase multienzyme complex /

proline-tRNA ligase / glutamyl-tRNA aminoacylation /

proline-tRNA ligase activity / prolyl-tRNA aminoacylation ...
Similarity search - Function

AIMP2, lysyl-tRNA synthetase binding domain / AIMP2, thioredoxin-like domain / Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 / AIMP2 lysyl-tRNA synthetase binding domain / Thioredoxin-like domain / Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 - #130 / Glutamyl-tRNA synthetase, archaeal/eukaryotic cytosolic / : / tRNA synthetases class I (E and Q), anti-codon binding domain /

WHEP-TRS domain ...AIMP2, lysyl-tRNA synthetase binding domain / AIMP2, thioredoxin-like domain / Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 / AIMP2 lysyl-tRNA synthetase binding domain / Thioredoxin-like domain / Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 - #130 / Glutamyl-tRNA synthetase, archaeal/eukaryotic cytosolic / : / tRNA synthetases class I (E and Q), anti-codon binding domain /

WHEP-TRS domain /

WHEP-TRS domain / WHEP-TRS domain signature. / WHEP-TRS domain profile. /

WHEP-TRS / Glutamyl/glutaminyl-tRNA synthetase, class Ib, anti-codon binding domain / tRNA synthetases class I (E and Q), anti-codon binding domain / Prolyl-tRNA synthetase, catalytic domain /

Proline-tRNA ligase, class II, C-terminal / Prolyl-tRNA synthetase, C-terminal / Prolyl-tRNA synthetase, C-terminal /

Proline-tRNA ligase, class IIa, archaeal-type / Prolyl-tRNA synthetase, class II / Glutamyl/glutaminyl-tRNA synthetase / Glutamyl/glutaminyl-tRNA synthetase, class Ib, catalytic domain / tRNA synthetases class I (E and Q), catalytic domain /

Aminoacyl-tRNA synthetase, class II (G/ P/ S/T) / tRNA synthetase class II core domain (G, H, P, S and T) / Anticodon-binding / Anticodon binding domain /

Glutathione S-transferase, C-terminal domain / Anticodon-binding domain superfamily /

Glutathione S-transferase, C-terminal domain /

Aminoacyl-tRNA synthetase, class I, conserved site / Aminoacyl-transfer RNA synthetases class-I signature. /

Aminoacyl-tRNA synthetase, class II / Aminoacyl-transfer RNA synthetases class-II family profile. /

Glutathione S-transferase, C-terminal / Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 / Class II Aminoacyl-tRNA synthetase/Biotinyl protein ligase (BPL) and lipoyl protein ligase (LPL) /

Glutathione S-transferase, C-terminal domain superfamily / Rossmann-like alpha/beta/alpha sandwich fold /

Ribosomal protein L25/Gln-tRNA synthetase, N-terminal /

Ribosomal protein L25/Gln-tRNA synthetase, anti-codon-binding domain superfamily / S15/NS1, RNA-binding / Up-down Bundle / Mainly Alpha
Similarity search - Domain/homology

Biological species

HOMO SAPIENS (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.318 Å

Authors

Cho, H.Y. / Kang, B.S.

Citation

Journal: To be Published
Title: The Crystal Structure of the Gst-Like Domains Complex of Eprs C92Sc105Sc123S Mutant-Aimp2
Authors: Cho, H.Y. / Kang, B.S.

History

Deposition	Jun 18, 2015	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jun 29, 2016	Provider: repository / Type: Initial release
Revision 1.1	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_conn 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_conn.pdbx_leaving_atom_flag

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	5a5h.cif.gz	590.2 KB	Display	PDBx/mmCIF format
PDB format	pdb5a5h.ent.gz	490.9 KB	Display	PDB format
PDBx/mmJSON format	5a5h.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/a5/5a5h ftp://data.pdbj.org/pub/pdb/validation_reports/a5/5a5h	HTTPS FTP

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Related structure data

Related structure data	5a34S S: Starting model for refinement
Similar structure data	3g7w-d 6koz-1 2q11-1 6r1h-d 5qd9-2 3skg-3 1q9j-1 6y6p-d 2f3e-2 6eqm-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

Related structure data

5a34S

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (15) #212 - Aug 2017 Glutathione Transferases similarity (4) #255 - Mar 2021 Cisplatin and DNA similarity (3)

Deposited unit

A: BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE

B: AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONA L PROTEIN 2

C: BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE

D: AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONA L PROTEIN 2

E: BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE

F: AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONA L PROTEIN 2

G: BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE

H: AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONA L PROTEIN 2

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

1

A: BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE

B: AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONA L PROTEIN 2

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

2

G: BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE

H: AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONA L PROTEIN 2

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

3

C: BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE

D: AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONA L PROTEIN 2

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

4

E: BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE

F: AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONA L PROTEIN 2

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

Unit cell

Length a, b, c (Å)	94.687, 112.793, 181.249
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	18
Space group name H-M	P22₁2₁

#1: Protein	BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE / BIFUNCTIONAL AMINOACYL-TRNA SYNTHETASE / CELL PROLIFERATION- INDUCING GENE 32 PROTEIN / GLUTAMATYL- ...BIFUNCTIONAL AMINOACYL-TRNA SYNTHETASE / CELL PROLIFERATION- INDUCING GENE 32 PROTEIN / GLUTAMATYL-PROLYL-TRNA SYNTHETASE / GLUTAMYL-TRNA SYNTHETASE / GLURS / PROLYL-TRNA SYNTHETASE / GLUTAMYL- PROLYL-TRNA SYNTHETASE Mass: 19404.488 Da / Num. of mol.: 4 / Fragment: GST-LIKE DOMAIN / Mutation: YES [C92S, C105S, C123S] Source method: isolated from a genetically manipulated source Details: M1 TO R175 OF EPRS GST-LIKE DOMAIN / Source: (gene. exp.) HOMO SAPIENS (human) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): B / Variant (production host): B834(DE3) References: UniProt: P07814, proline-tRNA ligase, glutamate-tRNA ligase
#2: Protein	AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONA L PROTEIN 2 / MULTISYNTHASE COMPLEX AUXILIARY COMPONENT P38 / PROTEIN JTV- 1 Mass: 26790.916 Da / Num. of mol.: 4 / Fragment: GST-LIKE DOMAIN Source method: isolated from a genetically manipulated source Details: T90 TO K320 OF AIMP2 GST-LIKE DOMAIN / Source: (gene. exp.) HOMO SAPIENS (human) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q13155
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 409 / 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: 2.59 Å³/Da / Density % sol: 52.6 % / Description: NONE
Crystal grow	pH: 7.5 / Details: 20% PEG3350, 0.2 M SODIUM FORMATE, pH 7.5

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: PAL/PLS / Beamline: 5C (4A) / Wavelength: 0.9796
Detector	Type: ADSC CCD / Detector: CCD / Date: Oct 12, 2014 / Details: VERTICAL FOCUSING TOROIDAL
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9796 Å / Relative weight: 1
Reflection	Resolution: 2.2→50 Å / Num. obs: 98969 / % possible obs: 99.5 % / Observed criterion σ(I): -2 / Redundancy: 6.9 % / B_iso Wilson estimate: 41.34 Å² / R_merge(I) obs: 0.08 / Net I/σ(I): 31.4
Reflection shell	Resolution: 2.2→2.28 Å / Redundancy: 4.7 % / R_merge(I) obs: 0.6 / Mean I/σ(I) obs: 2.8 / % possible all: 98.3

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 5A34

5a34

Resolution: 2.318→37.799 Å / SU ML: 0.26 / σ(F): 1.34 / Phase error: 22.71 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.227	3826	2.4 %
R_work	0.1723	-	-
obs	0.1736	161004	98.97 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.318→37.799 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11346	0	0	409	11755

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	11587
X-RAY DIFFRACTION	f_angle_d	1.042	15779
X-RAY DIFFRACTION	f_dihedral_angle_d	14.364	4035
X-RAY DIFFRACTION	f_chiral_restr	0.042	1861
X-RAY DIFFRACTION	f_plane_restr	0.005	1992

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 (%)
2.3183-2.3476	0.2691	132	0.2243	5336	X-RAY DIFFRACTION	91
2.3476-2.3785	0.2882	143	0.219	5893	X-RAY DIFFRACTION	100
2.3785-2.4111	0.2416	142	0.2125	5864	X-RAY DIFFRACTION	100
2.4111-2.4455	0.2912	141	0.2124	5878	X-RAY DIFFRACTION	100
2.4455-2.482	0.2634	147	0.2069	5894	X-RAY DIFFRACTION	100
2.482-2.5208	0.2673	139	0.1966	5896	X-RAY DIFFRACTION	100
2.5208-2.5621	0.25	144	0.1972	5918	X-RAY DIFFRACTION	100
2.5621-2.6063	0.2705	143	0.1963	5808	X-RAY DIFFRACTION	100
2.6063-2.6537	0.2724	143	0.1947	5904	X-RAY DIFFRACTION	100
2.6537-2.7047	0.2465	144	0.1932	5883	X-RAY DIFFRACTION	100
2.7047-2.7599	0.2394	144	0.1941	5880	X-RAY DIFFRACTION	100
2.7599-2.8199	0.2416	145	0.1933	5915	X-RAY DIFFRACTION	100
2.8199-2.8854	0.2604	147	0.1935	5882	X-RAY DIFFRACTION	100
2.8854-2.9576	0.2128	142	0.1932	5851	X-RAY DIFFRACTION	100
2.9576-3.0375	0.27	144	0.1932	5878	X-RAY DIFFRACTION	100
3.0375-3.1268	0.1967	143	0.1926	5881	X-RAY DIFFRACTION	100
3.1268-3.2277	0.2623	145	0.1956	5844	X-RAY DIFFRACTION	100
3.2277-3.343	0.2516	144	0.186	5926	X-RAY DIFFRACTION	100
3.343-3.4768	0.2728	141	0.1833	5831	X-RAY DIFFRACTION	100
3.4768-3.6349	0.1806	143	0.17	5913	X-RAY DIFFRACTION	100
3.6349-3.8264	0.2279	142	0.1624	5842	X-RAY DIFFRACTION	100
3.8264-4.0658	0.1827	141	0.154	5867	X-RAY DIFFRACTION	100
4.0658-4.3793	0.203	146	0.1454	5818	X-RAY DIFFRACTION	99
4.3793-4.8192	0.2218	136	0.1319	5724	X-RAY DIFFRACTION	98
4.8192-5.5148	0.1697	139	0.144	5816	X-RAY DIFFRACTION	98
5.5148-6.941	0.2054	143	0.1692	5842	X-RAY DIFFRACTION	99
6.941-37.8039	0.242	123	0.1591	5194	X-RAY DIFFRACTION	88

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	7.8208	2.8937	2.1894	6.4671	0.733	6.0523	0.6609	-0.4864	-0.4879	0.5322	-0.7253	-0.7727	0.3475	0.4587	0.0595	0.3584	0.0003	-0.0437	0.4561	0.1985	0.4186	11.4481	-3.6513	-20.923
2	6.5834	1.0122	1.0103	8.0277	0.7425	9.1459	-0.0829	0.1806	-0.7238	0.1144	-0.1627	-0.6171	0.3185	1.6022	0.2237	0.3357	0.084	-0.0763	0.7119	0.1342	0.635	17.2648	-2.9895	-26.1298
3	8.2446	1.0513	1.5721	1.5042	-0.6755	5.8663	0.0346	0.5192	-0.6963	-0.3886	-0.1511	-0.2756	0.5536	0.6454	0.1086	0.3877	0.0591	0.0479	0.3187	0.0426	0.399	5.7651	-6.5215	-32.916
4	5.5275	-0.995	-2.1601	5.123	2.5067	7.4251	0.01	0.2363	0.2451	-0.1652	-0.1125	0.3478	0.173	-0.0201	0.1314	0.2764	0.0146	-0.0434	0.2583	0.077	0.3352	-4.1494	-0.0866	-33.8592
5	5.9491	-0.3286	-0.5993	4.4126	-1.3842	5.3596	0.0054	-0.1464	0.3645	0.3925	0.055	0.1992	-0.2376	-0.3273	-0.0677	0.3319	-0.0031	0.0131	0.2549	0.0194	0.2802	-7.955	0.4915	-23.9366
6	6.2679	0.284	-1.3677	7.073	2.0374	7.6116	0.085	-3.1326	1.6244	1.9544	-0.0631	0.5871	-0.2635	-0.1473	-0.0893	0.7324	0.0175	0.081	0.8201	-0.2301	0.6463	-9.7669	4.5535	-10.9542
7	8.4276	-3.3227	-1.0224	2.2491	-1.3198	3.5175	-0.2533	-0.3461	-0.6412	0.9427	0.0874	0.6071	-0.2392	-0.0377	0.3894	0.3928	-0.0482	0.0419	0.2789	0.0515	0.3486	-10.1578	-5.8046	-17.465
8	4.2331	4.6609	4.1112	6.0347	2.5197	8.7365	-0.4422	-0.3903	0.4515	0.594	-0.3003	0.0867	-0.2841	0.0127	0.6378	0.4769	0.0855	-0.1344	0.3566	0.0513	0.4822	4.547	-7.6757	-12.49
9	8.4386	-2.3529	0.2947	0.6536	-0.0957	8.4425	0.1241	0.2616	0.0749	0.1749	0.1722	-0.0584	0.7476	0.0046	-0.2893	0.2377	0.0205	-0.0146	0.4118	0.0633	0.4042	-11.7437	9.3552	-45.0235
10	7.0026	0.8625	1.1512	4.048	6.0234	9.0013	-0.0158	0.5525	0.2432	-0.6782	0.2105	0.1063	0.1745	0.3044	-0.1247	0.351	0.0329	-0.0195	0.5351	0.0921	0.2666	-3.1035	9.7683	-52.9508
11	4.1179	-2.3019	-2.2115	4.462	2.2328	5.2089	0.2393	0.5983	0.1575	-0.485	-0.0784	0.0315	0.0937	-0.1883	-0.0186	0.3862	0.0335	-0.0745	0.4864	0.0458	0.4514	-14.4449	12.4995	-53.0436
12	5.907	-2.8182	1.4348	1.6551	-0.9482	2.458	0.0637	-0.0245	-0.2424	-0.1439	-0.1424	0.25	0.3695	-0.689	0.1117	0.345	-0.068	-0.0237	0.4069	-0.017	0.4255	-12.6413	8.0696	-41.1702
13	8.3622	1.7387	1.7227	3.8834	-1.4921	1.8976	0.1127	-0.1687	0.4433	0.1787	-0.2436	-0.1623	0.0652	0.3443	0.1417	0.234	0.0037	0.0404	0.4163	0.0338	0.222	8.0623	9.1501	-40.3102
14	8.0762	2.9502	1.0126	2.4693	-1.5745	5.078	-0.0832	0.1213	0.6716	-0.0918	0.055	0.1383	-0.205	-0.2412	0.0686	0.2614	0.0685	0.0368	0.4212	0.052	0.3329	9.2297	15.5113	-49.5433
15	7.0896	-0.5986	3.7371	3.0125	-1.1062	7.4075	0.3062	-0.2575	-0.5563	-0.3962	-0.1791	0.6815	0.5886	-0.7707	-0.0965	0.4432	0.0117	-0.1209	0.4081	-0.0824	0.5698	-56.7866	-5.7238	-63.3842
16	6.3606	4.4848	-4.9241	9.1443	-3.1191	3.8618	0.1146	-0.2739	-0.1103	-0.0609	-0.4972	-0.4598	0.1895	0.4175	0.3493	0.2947	0.0616	-0.0552	0.363	-0.0476	0.2991	-40.2395	-0.2577	-58.0756
17	5.2311	1.4344	-4.5249	7.6414	2.0294	5.3751	0.0996	0.3988	1.161	-0.9874	0.1615	-0.2831	-0.8704	-0.1742	-0.2639	0.5691	0.0082	-0.0549	0.4352	0.0474	0.4464	-35.7301	7.3701	-70.0019
18	6.9181	0.8207	-1.1225	3.3781	1.0807	3.5152	0.0417	0.7769	0.2409	-0.7287	-0.119	-0.035	0.1772	0.4272	0.0609	0.5306	0.1362	-0.0787	0.4376	0.0136	0.3995	-37.9348	-2.961	-73.3302
19	2.9643	-2.1591	-0.124	3.4568	4.0987	8.8052	-0.2222	1.1031	-0.1671	-0.3807	0.0447	-0.0185	0.3437	0.0419	0.0516	0.5223	-0.0545	-0.1627	0.4327	-0.0704	0.5429	-51.1149	-8.6787	-77.9471
20	3.9575	1.2223	0.5878	6.5841	-1.7636	4.2961	0.2622	-0.2573	-0.2352	-0.2514	0.1265	-0.1629	0.9064	-0.1507	-0.358	0.5448	-0.036	-0.1219	0.5601	-0.0328	0.4328	-33.3272	5.3616	-46.4834
21	5.8896	1.5863	1.8932	4.9909	-0.6325	4.3693	0.3967	-1.4794	-0.4155	0.4416	-0.3568	-0.0395	0.4158	-0.5194	-0.0467	0.3185	-0.0404	-0.0502	0.6123	-0.0124	0.3527	-35.711	9.241	-38.8663
22	9.6695	-0.906	0.6882	2.4837	3.192	7.841	-0.4257	-1.081	0.5098	0.0217	-0.0169	-0.2274	-0.4401	0.7169	0.1266	0.4457	-0.0075	-0.0846	0.6003	-0.038	0.5499	-28.5527	20.8679	-44.0623
23	4.1097	3.034	2.4195	4.545	5.9513	8.9906	0.4537	-1.6073	-0.2497	2.3864	0.9612	-1.7132	0.2256	1.2183	-0.8508	0.9943	0.1155	-0.3492	1.4695	0.0282	0.9501	-27.4428	5.9313	-30.5142
24	4.1424	2.3824	2.0939	2.9469	1.1484	6.0155	-0.0314	-0.0254	-0.2108	-0.152	-0.1714	-0.3718	0.1544	0.9333	-0.001	0.2966	0.0455	-0.0379	0.4309	0.0133	0.4172	-31.0926	11.3036	-50.6491
25	7.2854	-0.3816	1.7764	4.3817	-1.4581	7.1772	0.3512	0.2285	-1.0063	0.5421	-0.1236	-1.3319	1.3882	1.1676	-0.0338	0.515	0.2412	-0.1737	0.6049	-0.0389	0.6912	-31.6767	0.7346	-54.4854
26	7.2953	0.9885	1.7044	1.7075	1.8837	2.4072	0.1813	-0.2474	-0.0486	0.0423	-0.1206	0.1452	0.164	-0.366	-0.0476	0.257	0.048	-0.0299	0.438	-0.0081	0.3239	-48.5885	2.9053	-49.3133
27	2.5306	-1.1538	0.3865	4.9692	-1.7051	5.2327	0.1144	0.4546	0.807	-0.2107	0.3447	0.2033	-0.2027	-0.2904	-0.5036	0.3074	0.0203	0.0046	0.6079	0.0579	0.6147	-57.9512	16.933	-54.4847
28	3.2927	0.3481	0.4221	3.3086	-0.1083	4.3589	-0.0213	-0.6253	0.989	0.3697	0.1868	0.5336	-0.2971	0.0272	-0.1772	0.2767	0.0598	0.0279	0.5461	-0.0474	0.6161	-55.1219	14.9905	-44.0748
29	1.9488	1.0586	1.6686	8.0791	-1.2643	7.0672	0.215	-1.4065	1.2545	0.8403	-0.3	-0.2157	-1.1862	0.7568	-0.0216	0.5241	-0.0112	-0.0555	0.8601	-0.2719	0.7066	-43.5879	19.2846	-37.418
30	2.9157	0.2648	0.5945	3.2424	2.1224	6.8648	0.0121	0.0085	-0.3496	0.2794	-0.0663	-0.1193	0.5775	0.1267	0.0397	0.3086	-0.0098	0.0401	0.286	0.0203	0.3194	-15.2327	-38.004	-19.4427
31	4.5113	-3.0257	0.0169	7.065	-2.9723	6.7793	0.1072	0.0255	0.127	0.3013	0.1231	0.6516	-0.2252	-0.5885	-0.2376	0.3285	-0.0174	0.1266	0.3444	0.001	0.4155	-25.9446	-20.5757	-13.6888
32	4.309	-0.1335	-0.9602	8.0089	-0.1609	2.3331	0.122	0.4686	0.2384	-0.1935	-0.0811	0.5207	-0.3465	-0.1073	-0.0134	0.2938	-0.0162	0.051	0.294	0.0258	0.251	-21.4524	-17.673	-23.5459
33	3.5205	3.365	1.4398	5.4635	4.2246	4.1723	-0.0453	0.3419	0.4023	-0.6068	-0.1421	0.0498	-0.4578	0.1054	0.2365	0.3702	-0.0254	0.0634	0.3333	-0.0272	0.329	-15.0064	-28.1599	-32.7185
34	9.08	0.8343	-4.5963	3.6941	3.9852	7.7046	0.5622	0.6877	0.6193	1.4007	0.437	-1.404	-0.6317	1.1034	-0.8975	1.2129	-0.4276	0.02	1.2777	-0.2845	0.9981	-10.4363	-22.2326	5.9326
35	9.8936	-2.6523	-1.9187	5.1346	-2.6349	4.8772	0.415	0.1292	0.4243	0.3173	-0.0076	0.3285	-0.7043	-0.2579	-0.4508	0.6478	0.0154	0.2132	0.3739	-0.0646	0.4251	-32.3533	-20.6692	3.7261
36	4.8461	2.009	1.6934	3.5054	2.1818	6.7042	0.6007	-0.4492	0.2657	1.225	-0.1471	-0.1425	-0.1319	-0.1938	-0.4128	0.7854	-0.0948	0.124	0.3918	-0.0788	0.3775	-25.48	-25.1862	12.1571
37	3.1815	0.5354	-2.4233	9.1449	-5.4827	4.6949	0.4	-0.3212	0.7211	1.0308	0.304	0.8092	-1.5178	-1.5801	-0.7571	0.9883	0.1327	0.2854	0.9626	-0.1095	0.7149	-39.1393	-18.2742	11.0543
38	2.0144	-2.0395	-1.339	3.4346	3.3899	3.6265	0.2823	-1.3286	0.9258	1.2504	0.7714	-0.0663	-0.074	-1.3179	-1.2121	1.1604	-0.1878	0.1298	1.0322	-0.127	0.7901	-18.5775	-16.3956	21.2423
39	4.5017	-1.3352	-0.9793	3.4555	-0.1002	3.8982	0.2029	-0.0071	0.4896	0.2676	-0.003	-0.0757	-0.4801	-0.1997	-0.2046	0.4992	-0.0993	0.1108	0.2899	-0.0514	0.3601	-24.4116	-23.5378	1.0234
40	4.734	0.8424	-1.5946	6.033	0.1561	3.0352	0.0485	0.314	0.084	-0.4379	-0.0703	0.6597	-0.1003	-0.3306	0.0255	0.4797	-0.0165	-0.0406	0.32	0.0145	0.3218	-29.564	-42.1202	-5.9693
41	7.1074	-2.4144	-0.6188	9.4812	0.5836	5.7503	0.1378	-0.3861	-0.0438	0.1805	-0.1531	0.0638	-0.1843	-0.2135	0.0651	0.3825	-0.0894	0.0137	0.2595	-0.0037	0.2364	-27.1334	-41.1293	3.4671
42	8.3566	4.9323	0.6482	5.079	3.2649	3.9561	-0.0583	-0.0456	0.5371	0.2975	-0.2541	1.493	-0.3465	-0.7687	0.3889	0.4239	0.0336	0.0442	0.432	-0.007	0.5976	-34.929	-47.1464	5.1565
43	7.1301	-2.9189	1.1357	5.4773	1.5222	7.0016	-0.208	-1.0249	0.01	2.1069	0.2918	1.2506	-0.4723	-0.8534	-0.128	0.9691	-0.101	0.3845	0.5324	-0.0226	0.5881	-33.0889	-34.6385	14.0942
44	5.8671	-0.3092	1.6068	8.0198	-0.4705	6.1308	-0.0738	-0.4155	-0.1124	0.1659	-0.1105	-0.4378	0.0167	-0.2227	0.1951	0.4855	0.121	0.0936	0.5561	0.0658	0.4013	-26.0093	-35.4799	-66.2707
45	3.263	0.1448	5.4369	9.3005	1.7314	9.687	0.7952	-0.1101	0.5472	1.2244	-0.9603	0.116	0.5955	-1.0959	0.0376	0.5543	-0.0039	0.1857	0.6893	0.0678	0.5689	-32.2606	-38.9707	-64.6216
46	4.572	-0.1346	1.4818	6.5177	-1.1535	5.6225	0.2448	-0.0366	-0.3758	-0.7487	-0.5188	-0.2079	0.5901	-0.1327	0.2715	0.656	0.1874	0.1084	0.5582	0.0061	0.4307	-29.0182	-37.8298	-76.0362
47	3.5722	2.9236	-0.8883	7.3791	2.4096	5.1991	0.1808	0.1734	-0.1245	-1.339	-0.2984	-1.0193	-0.3076	0.2539	0.0353	0.8103	0.3097	0.291	0.5744	0.1413	0.6349	-20.2617	-19.9983	-80.2069
48	0.8851	0.8948	-1.2035	8.5942	1.4343	2.7189	0.2058	0.0456	0.0581	-0.3875	-0.3435	-0.89	-0.1006	0.3592	0.1108	0.4595	0.2225	0.0706	0.573	0.0894	0.5359	-22.875	-16.4624	-69.9279
49	1.2232	-1.0569	-1.8161	3.5766	-0.8308	6.566	-0.3532	-0.4199	0.2401	1.7332	0.3616	-0.6215	-0.2495	-0.113	-0.0075	0.7215	0.1317	-0.0238	0.6103	0.1289	0.474	-26.0412	-26.3404	-58.4102
50	0.9951	0.2845	-0.2477	2.9603	0.91	3.1333	0.3546	0.5375	0.4508	-1.8781	-0.1311	-0.0349	-1.6264	-0.4706	-0.2229	1.851	0.4686	0.3798	0.7984	0.1672	0.6407	-23.0695	-23.7999	-99.5261
51	3.8316	-2.5508	-2.5178	5.3676	2.8902	6.7933	-0.0332	0.0729	-0.1615	0.0386	-0.0508	-0.2843	-0.5532	-0.2311	0.0825	0.6401	0.0936	0.1145	0.3973	-0.0526	0.4297	-16.8661	-42.1777	-93.5833

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN 'E' AND (RESID 3 THROUGH 24 )
2	X-RAY DIFFRACTION	2	CHAIN 'E' AND (RESID 25 THROUGH 50 )
3	X-RAY DIFFRACTION	3	CHAIN 'E' AND (RESID 51 THROUGH 71 )
4	X-RAY DIFFRACTION	4	CHAIN 'E' AND (RESID 72 THROUGH 86 )
5	X-RAY DIFFRACTION	5	CHAIN 'E' AND (RESID 87 THROUGH 129 )
6	X-RAY DIFFRACTION	6	CHAIN 'E' AND (RESID 130 THROUGH 144 )
7	X-RAY DIFFRACTION	7	CHAIN 'E' AND (RESID 145 THROUGH 155 )
8	X-RAY DIFFRACTION	8	CHAIN 'E' AND (RESID 156 THROUGH 170 )
9	X-RAY DIFFRACTION	9	CHAIN 'F' AND (RESID 117 THROUGH 132 )
10	X-RAY DIFFRACTION	10	CHAIN 'F' AND (RESID 133 THROUGH 144 )
11	X-RAY DIFFRACTION	11	CHAIN 'F' AND (RESID 145 THROUGH 182 )
12	X-RAY DIFFRACTION	12	CHAIN 'F' AND (RESID 183 THROUGH 209 )
13	X-RAY DIFFRACTION	13	CHAIN 'F' AND (RESID 210 THROUGH 264 )
14	X-RAY DIFFRACTION	14	CHAIN 'F' AND (RESID 265 THROUGH 320 )
15	X-RAY DIFFRACTION	15	CHAIN 'A' AND (RESID 3 THROUGH 71 )
16	X-RAY DIFFRACTION	16	CHAIN 'A' AND (RESID 72 THROUGH 86 )
17	X-RAY DIFFRACTION	17	CHAIN 'A' AND (RESID 87 THROUGH 106 )
18	X-RAY DIFFRACTION	18	CHAIN 'A' AND (RESID 107 THROUGH 156 )
19	X-RAY DIFFRACTION	19	CHAIN 'A' AND (RESID 157 THROUGH 170 )
20	X-RAY DIFFRACTION	20	CHAIN 'B' AND (RESID 112 THROUGH 132 )
21	X-RAY DIFFRACTION	21	CHAIN 'B' AND (RESID 133 THROUGH 154 )
22	X-RAY DIFFRACTION	22	CHAIN 'B' AND (RESID 155 THROUGH 171 )
23	X-RAY DIFFRACTION	23	CHAIN 'B' AND (RESID 172 THROUGH 182 )
24	X-RAY DIFFRACTION	24	CHAIN 'B' AND (RESID 183 THROUGH 198 )
25	X-RAY DIFFRACTION	25	CHAIN 'B' AND (RESID 199 THROUGH 209 )
26	X-RAY DIFFRACTION	26	CHAIN 'B' AND (RESID 210 THROUGH 242 )
27	X-RAY DIFFRACTION	27	CHAIN 'B' AND (RESID 243 THROUGH 264 )
28	X-RAY DIFFRACTION	28	CHAIN 'B' AND (RESID 265 THROUGH 307 )
29	X-RAY DIFFRACTION	29	CHAIN 'B' AND (RESID 308 THROUGH 321 )
30	X-RAY DIFFRACTION	30	CHAIN 'C' AND (RESID 3 THROUGH 71 )
31	X-RAY DIFFRACTION	31	CHAIN 'C' AND (RESID 72 THROUGH 106 )
32	X-RAY DIFFRACTION	32	CHAIN 'C' AND (RESID 107 THROUGH 155 )
33	X-RAY DIFFRACTION	33	CHAIN 'C' AND (RESID 156 THROUGH 170 )
34	X-RAY DIFFRACTION	34	CHAIN 'D' AND (RESID 105 THROUGH 120 )
35	X-RAY DIFFRACTION	35	CHAIN 'D' AND (RESID 121 THROUGH 132 )
36	X-RAY DIFFRACTION	36	CHAIN 'D' AND (RESID 133 THROUGH 154 )
37	X-RAY DIFFRACTION	37	CHAIN 'D' AND (RESID 155 THROUGH 171 )
38	X-RAY DIFFRACTION	38	CHAIN 'D' AND (RESID 172 THROUGH 182 )
39	X-RAY DIFFRACTION	39	CHAIN 'D' AND (RESID 183 THROUGH 226 )
40	X-RAY DIFFRACTION	40	CHAIN 'D' AND (RESID 227 THROUGH 264 )
41	X-RAY DIFFRACTION	41	CHAIN 'D' AND (RESID 265 THROUGH 288 )
42	X-RAY DIFFRACTION	42	CHAIN 'D' AND (RESID 289 THROUGH 307 )
43	X-RAY DIFFRACTION	43	CHAIN 'D' AND (RESID 308 THROUGH 320 )
44	X-RAY DIFFRACTION	44	CHAIN 'G' AND (RESID 3 THROUGH 24 )
45	X-RAY DIFFRACTION	45	CHAIN 'G' AND (RESID 25 THROUGH 35 )
46	X-RAY DIFFRACTION	46	CHAIN 'G' AND (RESID 36 THROUGH 71 )
47	X-RAY DIFFRACTION	47	CHAIN 'G' AND (RESID 72 THROUGH 106 )
48	X-RAY DIFFRACTION	48	CHAIN 'G' AND (RESID 107 THROUGH 155 )
49	X-RAY DIFFRACTION	49	CHAIN 'G' AND (RESID 156 THROUGH 171 )
50	X-RAY DIFFRACTION	50	CHAIN 'H' AND (RESID 120 THROUGH 226 )
51	X-RAY DIFFRACTION	51	CHAIN 'H' AND (RESID 227 THROUGH 319 )

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