PDB-4x4t: Crystal structure of the A.fulgidus CCA-adding enzyme in complex ...

ID or keywords:

Entry

Database: PDB / ID: 4x4t

Title

Crystal structure of the A.fulgidus CCA-adding enzyme in complex with a G70A arginyl-tRNA minihelix ending in CCACCA

Components

(G70A tRNA minihelix ending in ...) x 2
CCA-adding enzyme
RNA (5'-D(P*CP*G)-3')
RNA (5'-D(P*GP*G)-3')

Keywords

transferase/RNA / protein-RNA complex / tRNA / non-coding RNA / CCA-adding enzyme / nucleotidyltransferase / ncRNA / transferase-RNA complex

Function / homology

Function and homology information

CCA tRNA nucleotidyltransferase / tRNA surveillance / CCACCA tRNA nucleotidyltransferase activity / CCA tRNA nucleotidyltransferase activity / tRNA 3'-terminal CCA addition / RNA repair / tRNA binding / magnesium ion binding / ATP binding
Similarity search - Function

Biological species

Archaeoglobus fulgidus (archaea)

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.5 Å

Authors

Kuhn, C.-D. / Joshua-Tor, L.

Funding support

United States, 1items

Citation

Journal: Cell / Year: 2015
Title: On-Enzyme Refolding Permits Small RNA and tRNA Surveillance by the CCA-Adding Enzyme.
Authors: Kuhn, C.D. / Wilusz, J.E. / Zheng, Y. / Beal, P.A. / Joshua-Tor, L.

History

Deposition	Dec 3, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 11, 2015	Provider: repository / Type: Initial release
Revision 1.1	Feb 18, 2015	Group: Database references
Revision 1.2	Feb 25, 2015	Group: Database references
Revision 1.3	Nov 22, 2017	Group: Advisory / Derived calculations ...Advisory / Derived calculations / Refinement description / Source and taxonomy Category: entity_src_gen / pdbx_entity_src_syn ...entity_src_gen / pdbx_entity_src_syn / pdbx_struct_oper_list / pdbx_validate_close_contact / software Item: _entity_src_gen.pdbx_alt_source_flag / _pdbx_entity_src_syn.pdbx_alt_source_flag / _pdbx_struct_oper_list.symmetry_operation
Revision 1.4	Nov 20, 2019	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5	Dec 27, 2023	Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4x4t.cif.gz	1.2 MB	Display	PDBx/mmCIF format
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Validation report

Summary document	4x4t_validation.pdf.gz	532.9 KB	Display	wwPDB validaton report
Full document	4x4t_full_validation.pdf.gz	548.1 KB	Display
Data in XML	4x4t_validation.xml.gz	75.8 KB	Display
Data in CIF	4x4t_validation.cif.gz	98.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/x4/4x4t ftp://data.pdbj.org/pub/pdb/validation_reports/x4/4x4t	HTTPS FTP

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Related structure data

Related structure data	4x4nC 4x4oC 4x4pC 4x4qC 4x4rC 4x4sC 4x4uC 4x4vC 4x4wC C: citing same article (ref.)
Similar structure data	4x4n-d 3h06-d 21100 5brq-d 4x4u-d 4f0x-1 6z9a-1 4f0x-2 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
Related items in Molecule of the Month	#121 - Jan 2010 70S Ribosomes similarity (1) #130 - Oct 2010 Riboswitches similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1) #157 - Jan 2013 Transfer-Messenger RNA similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #229 - Jan 2019 Fluorescent RNA Aptamers similarity (1) #253 - Jan 2021 Expressome similarity (1) #260 - Aug 2021 Ribonuclease P similarity (1) #146 - Feb 2012 Aminoglycoside Antibiotics similarity (1) #15 - Mar 2001 Transfer RNA similarity (1) #249 - Sep 2020 SARS-CoV-2 RNA-dependent RNA Polymerase similarity (1) #10 - Oct 2000 Ribosome similarity (1) #210 - Jun 2017 Adenine Riboswitch in Action similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #106 - Oct 2008 Poly(A) Polymerase similarity (4) #105 - Sep 2008 Ribonuclease A similarity (1) #226 - Oct 2018 Aminoglycoside Antibiotics and Resistance similarity (1) #245 - May 2020 Spliceosomes similarity (1) #262 - Oct 2021 Fifty Years of Open Access to PDB Structures similarity (1) #65 - May 2005 Self-splicing RNA similarity (1) #98 - Feb 2008 Small Interfering RNA similarity (1) #104 - Aug 2008 Selenocysteine Synthase similarity (1) #143 - Nov 2011 Toll-like Receptors similarity (1) #161 - May 2013 Ricin similarity (1) #227 - Nov 2018 Telomerase similarity (1) #230 - Feb 2019 Initiation Factor eIF4E similarity (1) #266 - Feb 2022 Oligosaccharyltransferase similarity (1) #81 - Sep 2006 Elongation Factors similarity (1) #89 - May 2007 Aconitase and Iron Regulatory Protein 1 similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#121 - Jan 2010
70S Ribosomes
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Riboswitches
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Poly(A) Polymerase
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Ribonuclease A
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Aminoglycoside Antibiotics and Resistance
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Spliceosomes
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Fifty Years of Open Access to PDB Structures
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Self-splicing RNA
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Small Interfering RNA
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Selenocysteine Synthase
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Toll-like Receptors
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Deposited unit

A: CCA-adding enzyme

B: G70A tRNA minihelix ending in CCACCA

C: CCA-adding enzyme

D: G70A tRNA minihelix ending in CCACCA

E: CCA-adding enzyme

F: CCA-adding enzyme

G: G70A tRNA minihelix ending in CCACCA

H: RNA (5'-D(P*CP*G)-3')

I: RNA (5'-D(P*GP*G)-3')

hetero molecules

249 kDa, 9 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)	115.422, 83.959, 135.320
Angle α, β, γ (deg.)	90.00, 103.51, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Details

biological units are chains A+B and C+D

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Protein , 1 types, 4 molecules ACEF

#1: Protein	CCA-adding enzyme / CCA tRNA nucleotidyltransferase / tRNA CCA-pyrophosphorylase / tRNA adenylyl-/cytidylyl- ...CCA tRNA nucleotidyltransferase / tRNA CCA-pyrophosphorylase / tRNA adenylyl-/cytidylyl- transferase / tRNA nucleotidyltransferase / tRNA-NT Mass: 53672.484 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Archaeoglobus fulgidus (strain ATCC 49558 / VC-16 / DSM 4304 / JCM 9628 / NBRC 100126) (archaea) Strain: ATCC 49558 / VC-16 / DSM 4304 / JCM 9628 / NBRC 100126 Gene: cca, AF_2156 / Plasmid: pET22 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)RIPL References: UniProt: O28126, CCA tRNA nucleotidyltransferase

#1: Protein

CCA-adding enzyme / CCA tRNA nucleotidyltransferase / tRNA CCA-pyrophosphorylase / tRNA adenylyl-/cytidylyl- ...

Mass: 53672.484 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Archaeoglobus fulgidus (strain ATCC 49558 / VC-16 / DSM 4304 / JCM 9628 / NBRC 100126) (archaea)
Strain: ATCC 49558 / VC-16 / DSM 4304 / JCM 9628 / NBRC 100126
Gene: cca, AF_2156 / Plasmid: pET22 / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21(DE3)RIPL
References: UniProt: O28126, CCA tRNA nucleotidyltransferase

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G70A tRNA minihelix ending in ... , 2 types, 3 molecules BDG

#2: RNA chain	G70A tRNA minihelix ending in CCACCA Mass: 11149.216 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)
#3: RNA chain	G70A tRNA minihelix ending in CCACCA Mass: 10193.646 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)

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RNA chain , 2 types, 2 molecules HI

#4: RNA chain	RNA (5'-D(PCPG)-3') Mass: 605.430 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)
#5: RNA chain	RNA (5'-D(PGPG)-3') Mass: 645.454 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)

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Non-polymers , 3 types, 361 molecules

#6: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₃H₈O₃
#7: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#8: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 357 / 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: 2.57 Å³/Da / Density % sol: 52.1 %
Crystal grow	Temperature: 290 K / Method: vapor diffusion, sitting drop / Details: 20% PEG3350, 0.2M NaK tartrate

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: NSLS / Beamline: X25 / Wavelength: 1.1 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 12, 2012
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.1 Å / Relative weight: 1
Reflection	Resolution: 2.5→40 Å / Num. obs: 87980 / % possible obs: 99.8 % / Redundancy: 5 % / B_iso Wilson estimate: 47.77 Å² / R_merge(I) obs: 0.058 / Net I/σ(I): 10.1
Reflection shell	Resolution: 2.5→2.54 Å / Redundancy: 4.6 % / R_merge(I) obs: 0.368 / % possible all: 97.3

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE: 1.8.2_1309)	refinement
HKL-2000		data reduction
PDB_EXTRACT	3.14	data extraction
PHASER		phasing
DENZO		data reduction
SCALEPACK		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.5→39.34 Å / SU ML: 0.31 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 22.66 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.229	8495	5.01 %
R_work	0.186	-	-
obs	0.188	-	99.3 %

Solvent computation

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

Displacement parameters

B_iso mean: 70.4 Å²

Refinement step

Cycle: LAST / Resolution: 2.5→39.34 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	14515	1890	25	357	16787

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	17363
X-RAY DIFFRACTION	f_angle_d	0.69	23856
X-RAY DIFFRACTION	f_dihedral_angle_d	12.072	6935
X-RAY DIFFRACTION	f_chiral_restr	0.038	2585
X-RAY DIFFRACTION	f_plane_restr	0.003	2700

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 (%)
2.5-2.5284	0.3245	288	0.2672	5378	X-RAY DIFFRACTION	99
2.5284-2.5581	0.2936	282	0.2558	5361	X-RAY DIFFRACTION	99
2.5581-2.5893	0.3025	282	0.2445	5323	X-RAY DIFFRACTION	99
2.5893-2.6221	0.276	279	0.2296	5449	X-RAY DIFFRACTION	99
2.6221-2.6566	0.2568	277	0.2186	5287	X-RAY DIFFRACTION	99
2.6566-2.693	0.2731	298	0.214	5468	X-RAY DIFFRACTION	99
2.693-2.7315	0.2961	273	0.2264	5293	X-RAY DIFFRACTION	99
2.7315-2.7722	0.2585	281	0.2149	5324	X-RAY DIFFRACTION	99
2.7722-2.8155	0.2517	283	0.2219	5390	X-RAY DIFFRACTION	99
2.8155-2.8617	0.2737	284	0.2218	5430	X-RAY DIFFRACTION	100
2.8617-2.911	0.2716	293	0.2272	5392	X-RAY DIFFRACTION	100
2.911-2.9639	0.2594	281	0.2205	5335	X-RAY DIFFRACTION	100
2.9639-3.0209	0.2682	287	0.2215	5424	X-RAY DIFFRACTION	99
3.0209-3.0825	0.3092	283	0.2346	5353	X-RAY DIFFRACTION	99
3.0825-3.1495	0.2668	287	0.2208	5357	X-RAY DIFFRACTION	99
3.1495-3.2228	0.2676	286	0.2102	5404	X-RAY DIFFRACTION	99
3.2228-3.3033	0.2332	281	0.204	5340	X-RAY DIFFRACTION	99
3.3033-3.3926	0.2591	283	0.1986	5402	X-RAY DIFFRACTION	99
3.3926-3.4924	0.2275	282	0.1984	5333	X-RAY DIFFRACTION	99
3.4924-3.605	0.2371	278	0.1879	5375	X-RAY DIFFRACTION	99
3.605-3.7338	0.2056	280	0.187	5360	X-RAY DIFFRACTION	100
3.7338-3.8831	0.2166	281	0.1759	5402	X-RAY DIFFRACTION	100
3.8831-4.0597	0.2219	281	0.1742	5377	X-RAY DIFFRACTION	99
4.0597-4.2735	0.2001	281	0.1607	5354	X-RAY DIFFRACTION	99
4.2735-4.5409	0.2068	283	0.1542	5387	X-RAY DIFFRACTION	99
4.5409-4.8909	0.2002	287	0.1434	5379	X-RAY DIFFRACTION	99
4.8909-5.382	0.1792	280	0.1559	5393	X-RAY DIFFRACTION	99
5.382-6.1582	0.1986	285	0.1683	5369	X-RAY DIFFRACTION	99
6.1582-7.7489	0.1971	280	0.1638	5374	X-RAY DIFFRACTION	100
7.7489-39.3436	0.2118	289	0.1628	5355	X-RAY DIFFRACTION	99

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	0.0108	0.0025	0.0029	0.0028	-0.0093	0.0139	0.0082	0.3655	0.1162	-0.1067	-0.15	-0.1242	0.0503	0.2486	-0	0.7012	0.1418	0.2216	1.0032	0.1145	0.7586	77.2577	15.5508	126.4688
2	-0.0063	0.0031	0.0025	0.0127	-0.0201	0.0073	0.1821	0.1143	-0.2154	-0.0512	-0.0282	-0.154	0.1963	0.0711	0	0.8484	0.2226	-0.0678	0.7525	0.0115	0.7524	67.1465	-1.3868	129.9599
3	0.2381	-0.0812	0.0578	0.0768	-0.0024	0.036	0.2647	0.4051	-0.0108	-0.2759	-0.1658	-0.075	0.1894	-0.0251	0.1511	0.4913	0.1439	0.031	0.6232	0.1581	0.3285	59.2467	17.4804	139.7396
4	0.0178	-0.0034	0.0186	-0.0039	0.0006	0.0095	0.099	0.0411	0.2678	0.0544	0.0409	-0.1678	-0.0409	0.181	-0	0.3994	0.0463	0.0467	0.4769	0.117	0.5036	74.966	25.2881	151.3519
5	0.069	-0.0328	0.0163	0.1318	-0.0542	0.0625	0.1504	0.042	0.1079	-0.1438	0.0015	0.0769	0.1997	0.183	0.0002	0.4054	0.069	-0.0509	0.2941	-0.0442	0.3594	75.0976	5.9693	165.9161
6	0.1063	-0.087	0.0907	0.0882	0.0303	0.227	0.0285	0.0156	0.0003	-0.0247	-0.0323	0.059	0.2067	0.0722	0	0.4242	0.0241	-0.0542	0.218	-0.0437	0.4537	67.3438	1.0123	180.3272
7	0.0066	0.0052	0.0033	0.0049	-0.0019	-0.0016	0.1297	-0.0354	-0.0298	0.019	0.1547	0.0128	0.0834	-0.0941	0	1.0757	-0.0085	-0.0111	1.0341	0.0251	0.7906	53.4641	-3.2379	157.6473
8	0.0001	0.0012	-0.0031	0.0023	-0.0027	0.0065	0.0084	0.0284	0.0798	-0.0238	0.0715	0.0649	0.083	0.0575	0	1.2738	-0.1431	0.0055	1.094	-0.0694	0.7458	50.346	-7.367	178.7394
9	0.0112	-0.0188	-0.0056	0.0242	-0.0066	-0.001	-0.077	-0.0025	0.129	0.1078	0.0079	0.1743	0.1117	-0.0465	0	1.2057	-0.1907	0.0961	1.2234	-0.0055	0.6206	54.3766	-2.1661	156.0122
10	0.0017	-0.0043	0.0014	0.015	0.0107	0.0049	-0.1332	0.0908	0.0052	-0.1907	0.0294	-0.0409	-0.2923	0.2386	-0	1.3429	-0.3758	0.0126	0.848	0.1183	0.4796	124.559	6.7186	123.3946
11	0.0007	-0.0025	0.0042	-0.0015	0.0056	-0.0014	-0.0216	0.0145	0.0108	-0.0154	-0.032	-0.183	-0.1109	0.0314	-0	0.9766	-0.4253	0.1369	0.9693	-0.146	0.6849	137.0428	-4.0353	130.5997
12	0.0011	-0.0006	0.003	-0.0017	0.0026	0.0012	0.0621	0.0061	-0.0045	0.0362	0.0682	-0.0934	-0.0115	-0.0093	0	1.1957	-0.4212	-0.0212	1.5856	-0.0194	1.434	147.2639	1.6045	135.9144
13	0.0035	-0.0015	-0.0067	0.0011	0.0015	-0.0018	-0.0524	-0.0681	0.0297	0.0122	0.0066	-0.0387	-0.1702	0.1722	-0	0.8633	-0.2581	-0.0292	1.4155	-0.3664	1.1795	138.964	-5.9238	135.8242
14	0.0428	0.0525	0.0134	0.1464	0.0741	0.0501	-0.0984	0.0719	-0.1236	-0.4132	0.3202	-0.0341	-0.2747	0.3467	0.3296	0.6613	-0.3043	-0.0576	0.5513	-0.4092	-0.4283	118.1644	-6.8277	140.0052
15	0.0167	0.0178	-0.008	0.0314	-0.046	0.092	0.0356	0.0507	0.0582	-0.1429	-0.0779	0.0709	-0.2573	-0.0439	0.0173	0.7041	-0.0541	-0.1251	0.4531	-0.0074	0.2814	109.3384	9.1887	144.737
16	0.1584	-0.2156	0.1106	0.8361	-0.3299	0.2253	-0.2304	0.3483	-0.0904	-0.0867	0.3012	0.031	-0.4219	0.285	0.0944	0.4437	-0.1437	-0.007	0.5138	-0.0821	0.3233	124.3315	15.0409	162.6749
17	0.0097	0.0343	0.0246	0.0428	0.0533	0.0796	-0.0361	-0.2604	0.1019	-0.1414	-0.0706	-0.0765	-0.1587	0.3201	-0.0009	0.2761	0.0195	0.0021	0.5085	0.0228	0.3187	124.5634	6.7003	194.4685
18	0.1374	0.1286	0.0537	0.2613	0.1668	0.1247	-0.0864	-0.0737	-0.0862	-0.1297	0.2011	-0.0234	-0.1434	0.1082	0.0088	0.4028	-0.1074	-0.0088	0.4672	-0.0139	0.3407	126.298	15.2145	171.8447
19	-0.0067	-0.006	0.0235	0.0364	-0.0537	0.0499	0.0884	-0.105	-0.0252	-0.0713	0.2601	-0.0572	0.15	0.023	0.0488	1.3849	-0.026	0.3033	1.58	-0.1554	0.5664	135.9165	-4.0525	173.8836
20	0.0018	-0.0007	-0.0011	0.0039	-0.0007	0.0008	0.0388	-0.0321	-0.0726	0.0275	0.0979	-0.1108	0.0529	0.0712	0.0004	1.3015	0.0109	0.0486	1.0658	-0.2094	1.074	135.3654	-10.0162	155.0679
21	0.0799	-0.0176	0.0192	0.0032	-0.007	-0.0024	-0.1743	0.3613	-0.2158	-0.1632	-0.0109	0.1343	0.0518	0.1055	-0.0037	0.58	-0.1154	0.0583	0.4937	-0.1338	0.496	94.5853	-33.222	161.3322
22	-0.0025	-0.0004	-0.0134	0.0063	0.0064	0.0065	-0.039	0.0046	-0.0838	0.0188	-0.049	0.1351	0.0379	0.1016	0	0.4281	-0.0174	0.0406	0.4551	-0.0652	0.4799	101.0382	-19.7243	166.8658
23	0.007	0.0041	-0.0021	0.0072	0.0047	0.0048	-0.013	-0.0212	0.0003	0.0857	0.1097	0.2208	-0.0286	0.0032	-0	0.4994	0	0.0337	0.5452	-0.0028	0.5741	94.8293	-7.0768	168.174
24	0.0132	0.0247	-0.0336	0.0254	-0.0518	0.0535	-0.1066	0.1569	-0.0746	-0.0612	0.0833	0.0018	-0.019	-0.0055	0	0.4442	-0.0115	0.0062	0.5289	-0.0444	0.5139	103.3126	-17.9649	172.2604
25	0.0928	0.0996	-0.0837	0.0889	-0.0925	0.0965	-0.0816	-0.0542	-0.1687	-0.0298	-0.0128	-0.1326	0.0352	0.1151	-0	0.3264	0.0643	0.0427	0.3382	-0.0234	0.4946	100.0548	-33.8293	183.9709
26	0.0141	0	-0.0057	-0.0088	0.0015	0.015	-0.0014	-0.1208	-0.1288	0.0327	-0.0574	-0.1459	0.1315	-0.1573	0	0.4467	0.0044	0.0313	0.2998	-0.048	0.5316	84.985	-42.1997	183.9232
27	0.076	-0.0231	-0.0168	0.0676	0.0602	0.0769	0.0806	0.0142	-0.0483	-0.009	-0.0639	-0.0968	0.0052	-0.0974	0	0.361	-0.0077	-0.0168	0.2017	0.0104	0.4047	71.8443	-24.2949	193.2668
28	0.0183	-0.0025	-0.0092	0.0021	0.0024	0.0495	0.0035	-0.077	0.2081	-0.0901	0.0695	0.1375	-0.05	-0.0112	0	0.3714	-0.0275	0.0179	0.3151	-0.0382	0.503	66.3717	-15.4684	224.9882
29	0.0395	-0.0034	-0.0407	0.0122	0.0211	0.0296	0.2106	-0.0965	0.0666	-0.0892	0.1245	0.0575	-0.0306	0.0282	0	0.37	0.0083	0.0041	0.2933	-0.0079	0.4311	66.2795	-18.0775	215.2777
30	0.0791	-0.0119	-0.0778	0.0241	-0.0225	0.0975	0.1533	0.1897	0.0043	-0.2037	-0.1127	0.0283	0.0667	0.0159	-0	0.4015	0.0054	-0.0449	0.2114	-0.0052	0.4017	69.2542	-21.7885	190.7386
31	0.1551	0.136	-0.1364	0.0832	-0.1358	0.1914	-0.0007	0.0341	0.3592	0.0578	-0.0681	0.3081	0.0425	0.2004	-0.0005	0.3383	-0.0597	0.0204	0.4435	-0.0235	0.5274	95.1254	-7.0922	227.2248
32	0.0733	0.0491	-0.0928	0.0717	-0.0506	0.0878	0.0337	-0.0131	-0.039	0.0413	-0.1128	0.0547	0.0368	0.1984	-0	0.3216	0.0223	0.0212	0.5138	0.0477	0.3236	112.3624	-10.0801	214.5159
33	0.0041	-0.0085	0.0098	0.0361	0.0169	0.0513	0.1533	-0.0969	0.1221	-0.0932	-0.2255	0.0431	-0.3121	0.1602	-0.0007	0.3062	-0.0756	-0.0184	0.5991	0.0401	0.4053	119.2654	5.4907	212.7939
34	0.3609	-0.0053	-0.1314	0.2928	-0.283	0.3041	0.0291	-0.0597	-0.0309	-0.0313	0.0512	0.1075	-0.2845	-0.1887	-0	0.3374	0.0445	-0.0074	0.4069	-0.0378	0.3993	103.2025	12.3768	185.5474
35	0.0347	-0.0115	0.0611	0.1025	0	0.0229	0.0092	-0.1632	0.2945	-0.2242	0.2144	0.3317	0.1744	0.1757	0.0055	0.3729	-0.0203	0.0566	0.478	-0.013	0.3549	93.2788	-10.3666	197.5686
36	0.0078	0.0005	0.0016	0.0012	-0.0014	0.0045	0.0241	-0	0.0002	-0.0011	-0.0007	0.0004	-0.0081	0.001	-0	0.6561	-0.0733	-0.0442	0.8601	0.0367	0.9158	123.1806	-8.6766	191.5736
37	0.0035	0.0016	-0.0035	0.0012	-0.003	0.0036	-0.0047	0.0212	0.0186	-0.0124	0.0117	-0.0086	0.0041	0.0113	-0	1.0311	-0.056	-0.2635	0.9419	0.0278	0.8502	46.419	1.9387	183.3223

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN 'A' AND (RESID 1 THROUGH 38 )
2	X-RAY DIFFRACTION	2	CHAIN 'A' AND (RESID 39 THROUGH 115 )
3	X-RAY DIFFRACTION	3	CHAIN 'A' AND (RESID 116 THROUGH 231 )
4	X-RAY DIFFRACTION	4	CHAIN 'A' AND (RESID 232 THROUGH 263 )
5	X-RAY DIFFRACTION	5	CHAIN 'A' AND (RESID 264 THROUGH 333 )
6	X-RAY DIFFRACTION	6	CHAIN 'A' AND (RESID 334 THROUGH 437 )
7	X-RAY DIFFRACTION	7	CHAIN 'B' AND (RESID 1 THROUGH 9 )
8	X-RAY DIFFRACTION	8	CHAIN 'B' AND (RESID 10 THROUGH 19 )
9	X-RAY DIFFRACTION	9	CHAIN 'B' AND (RESID 20 THROUGH 34 )
10	X-RAY DIFFRACTION	10	CHAIN 'C' AND (RESID 1 THROUGH 37 )
11	X-RAY DIFFRACTION	11	CHAIN 'C' AND (RESID 38 THROUGH 73 )
12	X-RAY DIFFRACTION	12	CHAIN 'C' AND (RESID 74 THROUGH 96 )
13	X-RAY DIFFRACTION	13	CHAIN 'C' AND (RESID 97 THROUGH 129 )
14	X-RAY DIFFRACTION	14	CHAIN 'C' AND (RESID 130 THROUGH 231 )
15	X-RAY DIFFRACTION	15	CHAIN 'C' AND (RESID 232 THROUGH 263 )
16	X-RAY DIFFRACTION	16	CHAIN 'C' AND (RESID 264 THROUGH 333 )
17	X-RAY DIFFRACTION	17	CHAIN 'C' AND (RESID 334 THROUGH 367 )
18	X-RAY DIFFRACTION	18	CHAIN 'C' AND (RESID 368 THROUGH 437 )
19	X-RAY DIFFRACTION	19	CHAIN 'D' AND (RESID 1 THROUGH 25 )
20	X-RAY DIFFRACTION	20	CHAIN 'D' AND (RESID 26 THROUGH 34 )
21	X-RAY DIFFRACTION	21	CHAIN 'E' AND (RESID 1 THROUGH 38 )
22	X-RAY DIFFRACTION	22	CHAIN 'E' AND (RESID 39 THROUGH 71 )
23	X-RAY DIFFRACTION	23	CHAIN 'E' AND (RESID 72 THROUGH 97 )
24	X-RAY DIFFRACTION	24	CHAIN 'E' AND (RESID 98 THROUGH 140 )
25	X-RAY DIFFRACTION	25	CHAIN 'E' AND (RESID 141 THROUGH 231 )
26	X-RAY DIFFRACTION	26	CHAIN 'E' AND (RESID 232 THROUGH 263 )
27	X-RAY DIFFRACTION	27	CHAIN 'E' AND (RESID 264 THROUGH 333 )
28	X-RAY DIFFRACTION	28	CHAIN 'E' AND (RESID 334 THROUGH 367 )
29	X-RAY DIFFRACTION	29	CHAIN 'E' AND (RESID 368 THROUGH 395 )
30	X-RAY DIFFRACTION	30	CHAIN 'E' AND (RESID 396 THROUGH 437 )
31	X-RAY DIFFRACTION	31	CHAIN 'F' AND (RESID 1 THROUGH 144 )
32	X-RAY DIFFRACTION	32	CHAIN 'F' AND (RESID 145 THROUGH 231 )
33	X-RAY DIFFRACTION	33	CHAIN 'F' AND (RESID 232 THROUGH 263 )
34	X-RAY DIFFRACTION	34	CHAIN 'F' AND (RESID 264 THROUGH 437 )
35	X-RAY DIFFRACTION	35	CHAIN 'G' AND (RESID 1 THROUGH 31 )
36	X-RAY DIFFRACTION	36	CHAIN 'H' AND (RESID 1 THROUGH 2 )
37	X-RAY DIFFRACTION	37	CHAIN 'I' AND (RESID 1 THROUGH 2 )

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