PDB-1tfy: How CCA is added to the 3' end of immature tRNA without the use o...

ID or keywords:

Entry

Database: PDB / ID: 1tfy

Title

How CCA is added to the 3' end of immature tRNA without the use of an oligonucleotide template

Components

5'-R(*CP*GP*CP*GP*GP*AP*UP*C)-3'
5'-R(*CP*GP*GP*AP*UP*CP*CP*GP*CP*AP*C)-3'
5'-R(*GP*CP*GP*GP*AP*UP*AP*UP*CP*CP*GP*CP*AP*C)-3'
5'-R(*GP*CP*GP*GP*AP*UP*AP*UP*CP*CP*GP*CP*G)-3'
tRNA nucleotidyltransferase

Keywords

TRANSFERASE/RNA / CCA-adding Complex / CTP / TRANSFERASE-RNA COMPLEX

Function / homology

Function and homology information

tRNA surveillance / CCACCA tRNA nucleotidyltransferase activity /

CCA tRNA nucleotidyltransferase / tRNA 3'-terminal CCA addition / RNA repair /

tRNA binding / magnesium ion binding /

Biological species

Archaeoglobus fulgidus (archaea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.2 Å

Authors

Xiong, Y. / Steitz, T.A.

Citation

Journal: Nature / Year: 2004
Title: Mechanism of transfer RNA maturation by CCA-adding enzyme without using an oligonucleotide template.
Authors: Xiong, Y. / Steitz, T.A.

History

Deposition	May 27, 2004	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 10, 2004	Provider: repository / Type: Initial release
Revision 1.1	Apr 30, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.3	Aug 23, 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 / pdbx_struct_conn_angle / struct_conn / struct_ncs_dom_lim / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.end_auth_comp_id / _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	1tfy.cif.gz	385.3 KB	Display	PDBx/mmCIF format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/tf/1tfy ftp://data.pdbj.org/pub/pdb/validation_reports/tf/1tfy	HTTPS FTP

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Related structure data

Related structure data	1sz1C 1tfwC 1r89S C: citing same article (ref.) S: Starting model for refinement
Similar structure data	1tfw-1 4x4s-d 4x4q-d 3ovs-d 1tfw-2 4x4o-d 3bjb-d 3ffe-d 3q0z-3 1fm6-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) 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) #229 - Jan 2019 Fluorescent RNA Aptamers similarity (1) #253 - Jan 2021 Expressome similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #260 - Aug 2021 Ribonuclease P similarity (1) #249 - Sep 2020 SARS-CoV-2 RNA-dependent RNA Polymerase similarity (1) #15 - Mar 2001 Transfer RNA similarity (1) #146 - Feb 2012 Aminoglycoside Antibiotics similarity (1) #210 - Jun 2017 Adenine Riboswitch in Action similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #10 - Oct 2000 Ribosome similarity (1) #106 - Oct 2008 Poly(A) Polymerase similarity (4) #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) #226 - Oct 2018 Aminoglycoside Antibiotics and Resistance similarity (1) #105 - Sep 2008 Ribonuclease A similarity (1) #98 - Feb 2008 Small Interfering RNA similarity (1) #230 - Feb 2019 Initiation Factor eIF4E similarity (1) #227 - Nov 2018 Telomerase similarity (1) #161 - May 2013 Ricin similarity (1) #143 - Nov 2011 Toll-like Receptors similarity (1) #266 - Feb 2022 Oligosaccharyltransferase similarity (1) #81 - Sep 2006 Elongation Factors similarity (1) #104 - Aug 2008 Selenocysteine Synthase similarity (1) #89 - May 2007 Aconitase and Iron Regulatory Protein 1 similarity (1) #215 - Nov 2017 Aspartate Transcarbamoylase 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
similarity (1)
#130 - Oct 2010
Riboswitches
similarity (1)
#16 - Apr 2001
Aminoacyl-tRNA Synthetases
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Transfer-Messenger RNA
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similarity (1)
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Transfer RNA
similarity (1)
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Aminoglycoside Antibiotics
similarity (1)
#210 - Jun 2017
Adenine Riboswitch in Action
similarity (1)
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Zinc Fingers
similarity (1)
#10 - Oct 2000
Ribosome
similarity (1)
#106 - Oct 2008
Poly(A) Polymerase
similarity (4)
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Spliceosomes
similarity (1)
#262 - Oct 2021
Fifty Years of Open Access to PDB Structures
similarity (1)
#65 - May 2005
Self-splicing RNA
similarity (1)
#226 - Oct 2018
Aminoglycoside Antibiotics and Resistance
similarity (1)
#105 - Sep 2008
Ribonuclease A
similarity (1)
#98 - Feb 2008
Small Interfering RNA
similarity (1)
#230 - Feb 2019
Initiation Factor eIF4E
similarity (1)
#227 - Nov 2018
Telomerase
similarity (1)
#161 - May 2013
Ricin
similarity (1)
#143 - Nov 2011
Toll-like Receptors
similarity (1)
#266 - Feb 2022
Oligosaccharyltransferase
similarity (1)
#81 - Sep 2006
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#104 - Aug 2008
Selenocysteine Synthase
similarity (1)
#89 - May 2007
Aconitase and Iron Regulatory Protein 1
similarity (1)
#215 - Nov 2017
Aspartate Transcarbamoylase
similarity (1)
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similarity (1)

Deposited unit

E: 5'-R(*GP*CP*GP*GP*AP*UP*AP*UP*CP*CP*GP*CP*G)-3'

H: 5'-R(*GP*CP*GP*GP*AP*UP*AP*UP*CP*CP*GP*CP*AP*C)-3'

F: 5'-R(*GP*CP*GP*GP*AP*UP*AP*UP*CP*CP*GP*CP*G)-3'

I: 5'-R(*GP*CP*GP*GP*AP*UP*AP*UP*CP*CP*GP*CP*AP*C)-3'

G: 5'-R(*CP*GP*GP*AP*UP*CP*CP*GP*CP*AP*C)-3'

J: 5'-R(*CP*GP*CP*GP*GP*AP*UP*C)-3'

A: tRNA nucleotidyltransferase

B: tRNA nucleotidyltransferase

C: tRNA nucleotidyltransferase

D: tRNA nucleotidyltransferase

hetero molecules

231 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

E: 5'-R(*GP*CP*GP*GP*AP*UP*AP*UP*CP*CP*GP*CP*G)-3'

H: 5'-R(*GP*CP*GP*GP*AP*UP*AP*UP*CP*CP*GP*CP*AP*C)-3'

G: 5'-R(*CP*GP*GP*AP*UP*CP*CP*GP*CP*AP*C)-3'

J: 5'-R(*CP*GP*CP*GP*GP*AP*UP*C)-3'

A: tRNA nucleotidyltransferase

B: tRNA nucleotidyltransferase

hetero molecules

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

2

F: 5'-R(*GP*CP*GP*GP*AP*UP*AP*UP*CP*CP*GP*CP*G)-3'

I: 5'-R(*GP*CP*GP*GP*AP*UP*AP*UP*CP*CP*GP*CP*AP*C)-3'

C: tRNA nucleotidyltransferase

D: tRNA nucleotidyltransferase

hetero molecules

defined by author
113 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	114.092, 84.023, 134.561
Angle α, β, γ (deg.)	90.00, 102.38, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	B
2	1	D
1	2	A
2	2	C
3	2	A
4	2	C
1	3	A
2	3	B
3	3	C
4	3	D
1	4	E
2	4	F

NCS domain segments:

Refine code: 2

Dom-ID	Component-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	1	MET	MET	LYS	LYS	B	H	1 - 135	1 - 135
2	1	1	MET	MET	LYS	LYS	D	J	1 - 135	1 - 135
1	1	2	MET	MET	TYR	TYR	A	G	1 - 90	1 - 90
2	1	2	MET	MET	TYR	TYR	C	I	1 - 90	1 - 90
3	2	2	HIS	HIS	LYS	LYS	A	G	101 - 135	101 - 135
4	2	2	HIS	HIS	LYS	LYS	C	I	101 - 135	101 - 135
1	1	3	TRP	TRP	ASP	ASP	A	G	136 - 437	136 - 437
2	1	3	TRP	TRP	ASP	ASP	B	H	136 - 437	136 - 437
3	1	3	TRP	TRP	ASP	ASP	C	I	136 - 437	136 - 437
4	1	3	TRP	TRP	ASP	ASP	D	J	136 - 437	136 - 437
1	1	4	G	G	G	G	E	A	1 - 13	1 - 13
2	1	4	G	G	G	G	F	C	1 - 13	1 - 13

NCS ensembles :

ID
1
2
3
4

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RNA chain , 4 types, 6 molecules EFHIGJ

#1: RNA chain	5'-R(GPCPGPGPAPUPAPUPCPCPGPCPG)-3' Mass: 4172.542 Da / Num. of mol.: 2 / Source method*: obtained synthetically
#2: RNA chain	5'-R(GPCPGPGPAPUPAPUPCPCPGPCPAPC)-3' Mass: 4461.723 Da / Num. of mol.: 2 / Source method: obtained synthetically
#3: RNA chain	5'-R(CPGPGPAPUPCPCPGPCPAPC)-3' Mass: 3481.146 Da / Num. of mol.: 1 / Source method*: obtained synthetically
#4: RNA chain	5'-R(CPGPCPGPGPAPUPC)-3' Mass: 2541.577 Da / Num. of mol.: 1 / Source method: obtained synthetically

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Protein , 1 types, 4 molecules ABCD

#5: Protein	tRNA nucleotidyltransferase / / 2.7.7.25 / tRNA adenylyltransferase / tRNA CCA-pyrophosphorylase / CCA-adding enzyme Mass: 51469.137 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Archaeoglobus fulgidus (archaea) / Gene: CCA, AF2156 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: O28126, EC: 2.7.7.25

#5: Protein

tRNA nucleotidyltransferase /

/ 2.7.7.25 / tRNA adenylyltransferase / tRNA CCA-pyrophosphorylase / CCA-adding enzyme

Mass: 51469.137 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Archaeoglobus fulgidus (archaea) / Gene: CCA, AF2156 / Species (production host): Escherichia coli / Production host:

Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: O28126, EC: 2.7.7.25

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Non-polymers , 2 types, 8 molecules

#6: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#7: Chemical	ChemComp-CTP / CYTIDINE-5'-TRIPHOSPHATE / Cytidine triphosphate Mass: 483.156 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₉H₁₆N₃O₁₄P₃

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.5 Å³/Da / Density % sol: 50 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7 Details: pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: NSLS / Beamline: X25
Detector	Detector: CCD
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Relative weight: 1
Reflection	Resolution: 3.2→50 Å / Num. obs: 38861 / % possible obs: 99 % / Observed criterion σ(I): -3 / R_merge(I) obs: 0.098
Reflection shell	Resolution: 3.2→3.42 Å / % possible all: 99.4

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0005	refinement
HKL-2000		data reduction
SCALEPACK		data scaling
AMoRE		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB entry 1R89

1r89

Resolution: 3.2→44.28 Å / Cor.coef. F_o:F_c: 0.931 / Cor.coef. F_o:F_c free: 0.901 / SU B: 85.655 / SU ML: 0.636 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R Free: 0.612
Stereochemistry target values: MAXIMUM LIKELIHOOD WITH PHASES

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.29043	2053	5 %	RANDOM
R_work	0.23521	-	-	-
obs	0.23801	38861	99.13 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK

Displacement parameters

B_iso mean: 131.197 Å²

	B_aniso -1	B_aniso -2
1-	0 Å²	0 Å²
2-	-	0 Å²
3-	-	-

Refinement step

Cycle: LAST / Resolution: 3.2→44.28 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	14520	1540	120	0	16180

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.007	0.022	16689
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.121	2.096	22811
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.312	5	1744
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.675	22.784	776
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	21.338	15	2780
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	15.84	15	160
X-RAY DIFFRACTION	r_chiral_restr	0.07	0.2	2447
X-RAY DIFFRACTION	r_gen_planes_refined	0.002	0.02	12151
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.204	0.2	7464
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.303	0.2	11143
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.145	0.2	430
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined	0.027	0.2	1
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.172	0.2	48
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.137	0.2	3
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_mcbond_it	0.093	2.5	8932
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.118	4	14056
X-RAY DIFFRACTION	r_scbond_it	0.218	5	9202
X-RAY DIFFRACTION	r_scangle_it	0.354	8	8755
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-ID	Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	1	B	540	tight positional	0.04	0.05
2	1	A	500	tight positional	0.06	0.05
3	1	A	1208	tight positional	0.07	0.05
3	2	B	1208	tight positional	0.06	0.05
3	3	C	1208	tight positional	0.1	0.05
3	4	D	1208	tight positional	0.12	0.05
1	1	B	573	medium positional	0.75	0.5
2	1	A	523	medium positional	0.58	0.5
3	1	A	1339	medium positional	0.62	0.5
3	2	B	1339	medium positional	0.6	0.5
3	3	C	1339	medium positional	0.72	0.5
3	4	D	1339	medium positional	0.74	0.5
4	1	E	571	medium positional	0.45	0.5
1	1	B	540	tight thermal	0.06	0.5
2	1	A	500	tight thermal	0.08	0.5
3	1	A	1208	tight thermal	0.09	0.5
3	2	B	1208	tight thermal	0.09	0.5
3	3	C	1208	tight thermal	0.11	0.5
3	4	D	1208	tight thermal	0.12	0.5
1	1	B	573	medium thermal	0.49	2
2	1	A	523	medium thermal	0.69	2
3	1	A	1339	medium thermal	0.85	2
3	2	B	1339	medium thermal	0.83	2
3	3	C	1339	medium thermal	0.96	2
3	4	D	1339	medium thermal	1.05	2
4	1	E	571	medium thermal	0.59	2

LS refinement shell

Resolution: 3.2→3.42 Å / Total num. of bins used: 8

	R_factor	Num. reflection	% reflection
R_free	0.373	394	-
R_work	0.336	6899	-
obs	-	-	99.9 %

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	12.9413	-6.0908	0.5673	8.835	-0.3296	2.5354	-0.0919	-0.4861	0.9578	0.4833	-0.2224	-0.4971	0.0626	-0.3282	0.3143	-0.4651	-0.1822	0.1277	-0.4674	-0.0637	-0.4982	76.9349	32.4198	35.3471
2	4.122	-0.8385	-1.2048	4.2351	0.6572	5.9229	0.0678	0.2148	0.0949	-0.5372	-0.1864	-0.0068	0.1028	-0.6362	0.1186	-0.6783	-0.193	0.0322	-0.2766	-0.1372	-0.665	54.325	31.9678	45.6181
3	2.2047	0.5476	-1.3709	1.0916	-0.298	6.9791	-0.1574	0.2134	0.1324	-0.0845	0.159	-0.2221	-0.8823	0.5072	-0.0016	-0.6151	-0.1702	-0.0455	-0.4313	-0.0317	-0.4608	65.2186	51.954	76.2718
4	12.3941	3.2864	0.9568	5.6265	-0.4381	3.034	-0.5621	0.3311	0.9073	-0.1812	0.6999	1.5283	-0.4551	-0.79	-0.1378	0.076	0.4486	0.2452	0.3604	0.3855	-0.185	30.7258	38.9361	130.9873
5	4.6967	-0.0736	-0.4644	4.5772	-2.2629	7.652	-0.1779	-0.5087	-0.0511	0.9644	0.168	-0.001	-0.6874	-0.1087	0.0099	-0.3996	0.2148	-0.0528	-0.3002	0.0643	-0.8345	53.5809	36.0892	123.1809
6	2.3918	-0.7645	-0.9548	1.2938	0.7345	6.1761	-0.1694	-0.0487	0.083	0.2826	0.2246	0.0279	-0.9411	-0.4518	-0.0552	-0.462	0.0938	0.0258	-0.4548	0.088	-0.6049	44.1459	53.2821	90.7542
7	6.0618	-4.4597	0.798	14.1165	0.8693	3.1166	-0.1247	0.3281	0.0172	-0.4446	-0.2992	-0.4282	-0.0452	0.0397	0.4239	-0.677	-0.1008	0.1485	-0.3195	-0.0045	-0.4835	70.3638	22.6265	96.5206
8	4.6752	-0.8455	-1.4727	4.934	0.7446	4.8877	-0.1615	-0.3402	-0.4594	0.173	-0.0703	0.5691	0.561	-0.3611	0.2318	-0.7	-0.1514	0.1308	-0.5329	-0.0351	-0.325	70.6431	3.6657	80.6475
9	1.6092	0.1455	-1.0487	1.775	0.6688	6.1079	0.1221	-0.1102	0.2225	0.1137	-0.1494	-0.1373	-0.2103	0.223	0.0273	-0.6207	-0.0195	-0.0282	-0.8844	0.0145	-0.4824	98.6742	18.912	59.8999
10	5.5823	2.655	2.0626	10.0893	1.7457	3.3389	0.5211	-0.0196	-1.104	0.2208	-0.2627	-0.5864	0.9932	-0.0071	-0.2585	0.2433	0.3893	-0.0451	0.1089	-0.0011	-0.3012	98.0857	-2.2254	-2.0949
11	4.6124	-0.6856	0.9459	4.427	-0.9674	7.0578	0.1887	0.6674	0.135	-0.5115	-0.2696	-0.1817	0.0684	0.3245	0.0809	-0.431	0.2013	0.1158	-0.3319	0.2082	-0.7376	94.952	18.8511	9.4827
12	1.7792	-0.9128	-2.1641	1.8877	0.2106	6.9777	0.014	0.2155	-0.0505	-0.2462	-0.2415	0.0787	0.568	0.2734	0.2275	-0.448	0.0779	-0.0755	-0.7485	0.0162	-0.5661	102.846	1.3355	41.7711
13	12.5113	-0.5298	8.182	6.666	-2.8987	6.3312	-0.4948	1.4969	-0.1749	-1.7031	0.2109	0.4728	1.6608	-0.3231	0.2839	0.2085	0.0267	0.069	0.3098	0.0168	-0.3595	33.5767	33.4152	94.7563
14	6.4913	2.1214	1.5938	10.2985	-8.7659	9.3701	0.6177	-0.649	-0.4492	0.9797	0.0061	0.7953	0.8498	-2.2103	-0.6238	0.0308	-0.2752	-0.0484	0.1151	0.0343	-0.1112	83.9134	-5.511	31.9069
15	9.1855	1.0756	3.1078	26.3759	-21.4617	21.8992	-1.2277	1.5477	0.7371	-0.2394	-0.1887	-1.9208	2.1557	1.8794	1.4164	-0.3592	0.1379	0.1904	-0.0151	-0.0718	0.0827	75.4023	29.5756	66.4529

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	X-RAY DIFFRACTION	1	A	G	17 - 124	17 - 124
2	X-RAY DIFFRACTION	1	A	O	501	1
3	X-RAY DIFFRACTION	1	A	K	601	1
4	X-RAY DIFFRACTION	2	A	G	125 - 258	125 - 258
5	X-RAY DIFFRACTION	2	A	G	1 - 16	1 - 16
6	X-RAY DIFFRACTION	3	A	G	259 - 437	259 - 437
7	X-RAY DIFFRACTION	4	B	H	17 - 124	17 - 124
8	X-RAY DIFFRACTION	4	B	P	502	1
9	X-RAY DIFFRACTION	4	B	L	602	1
11	X-RAY DIFFRACTION	5	B	H	125 - 258	125 - 258
12	X-RAY DIFFRACTION	5	B	H	1 - 16	1 - 16
13	X-RAY DIFFRACTION	6	B	H	259 - 437	259 - 437
14	X-RAY DIFFRACTION	7	C	I	17 - 124	17 - 124
15	X-RAY DIFFRACTION	7	C	Q	503	1
16	X-RAY DIFFRACTION	7	C	M	603	1
17	X-RAY DIFFRACTION	8	C	I	125 - 258	125 - 258
18	X-RAY DIFFRACTION	8	C	I	1 - 16	1 - 16
19	X-RAY DIFFRACTION	9	C	I	259 - 437	259 - 437
20	X-RAY DIFFRACTION	10	D	J	17 - 124	17 - 124
21	X-RAY DIFFRACTION	10	D	R	504	1
22	X-RAY DIFFRACTION	10	D	N	604	1
23	X-RAY DIFFRACTION	10	I	D	74	14
24	X-RAY DIFFRACTION	11	D	J	125 - 258	125 - 258
25	X-RAY DIFFRACTION	11	D	J	1 - 16	1 - 16
26	X-RAY DIFFRACTION	12	D	J	259 - 437	259 - 437
27	X-RAY DIFFRACTION	13	E	A	1 - 13	1 - 13
28	X-RAY DIFFRACTION	13	H	B	61 - 73	1 - 13
29	X-RAY DIFFRACTION	14	F	C	1 - 13	1 - 13
30	X-RAY DIFFRACTION	14	I	D	61 - 73	1 - 13
31	X-RAY DIFFRACTION	15	G	E	3 - 13	1 - 11
32	X-RAY DIFFRACTION	15	J	F	61 - 68	1 - 8

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