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

ID or keywords:

Entry

Database: PDB / ID: 1tfw

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

Keywords

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

Function / homology

Function and homology information

CCA tRNA nucleotidyltransferase / tRNA surveillance / CCACCA 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)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.2 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	1tfw.cif.gz	428.5 KB	Display	PDBx/mmCIF format
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Validation report

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

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Related structure data

Related structure data	1sz1C 1tfyC 1r89S C: citing same article (ref.) S: Starting model for refinement
Similar structure data	1tfy-1 1tfy-2 4x4s-d 4x4q-d 3ovs-d 1r8a-1 2w02-d 1fm6-d 3ffe-d 3q0z-3 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) #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
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)
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Aminoglycoside Antibiotics
similarity (1)
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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)

Deposited unit

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

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

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

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

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

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

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

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

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

A: tRNA nucleotidyltransferase

B: tRNA nucleotidyltransferase

hetero molecules

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

2

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

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

C: tRNA nucleotidyltransferase

D: tRNA nucleotidyltransferase

hetero molecules

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

Unit cell

Length a, b, c (Å)	116.641, 84.770, 135.813
Angle α, β, γ (deg.)	90.00, 104.66, 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:

Dom-ID	Component-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Refine code	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	1	MET	MET	LYS	LYS	5	B	H	1 - 135	1 - 135
2	1	1	MET	MET	LYS	LYS	5	D	J	1 - 135	1 - 135
1	1	2	MET	MET	TYR	TYR	2	A	G	1 - 90	1 - 90
2	1	2	MET	MET	TYR	TYR	2	C	I	1 - 90	1 - 90
3	2	2	HIS	HIS	LYS	LYS	5	A	G	101 - 135	101 - 135
4	2	2	HIS	HIS	LYS	LYS	5	C	I	101 - 135	101 - 135
1	1	3	TRP	TRP	ASP	ASP	5	A	G	136 - 437	136 - 437
2	1	3	TRP	TRP	ASP	ASP	5	B	H	136 - 437	136 - 437
3	1	3	TRP	TRP	ASP	ASP	5	C	I	136 - 437	136 - 437
4	1	3	TRP	TRP	ASP	ASP	5	D	J	136 - 437	136 - 437
1	1	4	G	G	C	C	5	E	A	1 - 12	1 - 12
2	1	4	G	G	C	C	5	F	C	1 - 12	1 - 12

NCS ensembles :

ID
1
2
3
4

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RNA chain , 4 types, 6 molecules EHIGFJ

#1: RNA chain	5'-R(GPCPGPGPAPUPCPCPGPCPAPC)-3' Mass: 3826.352 Da / Num. of mol.: 1 / Source method: obtained synthetically
#2: RNA chain	5'-R(GPCPGPGPAPUPCPCPGPCPAPCPC)-3' Mass: 4131.534 Da / Num. of mol.: 3 / Source method*: obtained synthetically
#3: RNA chain	5'-R(GPCPGPGPAPCPCPCPGPCPAPC)-3' Mass: 3825.368 Da / Num. of mol.: 1 / Source method: obtained synthetically
#4: RNA chain	5'-R(CPGPCPGPGPAPUPCPCPGPCPAPC)-3' Mass: 4131.533 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 , 3 types, 1063 molecules

#6: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#7: Chemical	ChemComp-ATP / ADENOSINE-5'-TRIPHOSPHATE Mass: 507.181 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₁₀H₁₆N₅O₁₃P₃ / Comment: ATP, energy-carrying molecule*YM
#8: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1059 / 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: 2.5 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: 2.1→47.7 Å / Num. obs: 122568 / % possible obs: 98.7 % / Observed criterion σ(I): -3 / Redundancy: 3.1 % / R_merge(I) obs: 0.072

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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: 2.2→47.7 Å / Cor.coef. F_o:F_c: 0.957 / Cor.coef. F_o:F_c free: 0.934 / SU B: 11.938 / SU ML: 0.164 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.245 / ESU R Free: 0.203 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.24168	6447	5 %	RANDOM
R_work	0.19207	-	-	-
obs	0.19454	122568	99.07 %	-

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: 45.443 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.39 Å²	0 Å²	-0.3 Å²
2-	-	0.21 Å²	0 Å²
3-	-	-	-0.75 Å²

Refinement step

Cycle: LAST / Resolution: 2.2→47.7 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	14520	1598	64	1059	17241

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.01	0.022	16697
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	14375
X-RAY DIFFRACTION	r_angle_refined_deg	1.165	2.096	22820
X-RAY DIFFRACTION	r_angle_other_deg	0.956	3	33528
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.465	5	1744
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	32.431	22.784	776
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	16.543	15	2780
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	16.813	15	160
X-RAY DIFFRACTION	r_chiral_restr	0.066	0.2	2454
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.02	17182
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	3372
X-RAY DIFFRACTION	r_nbd_refined	0.187	0.2	3237
X-RAY DIFFRACTION	r_nbd_other	0.184	0.2	14494
X-RAY DIFFRACTION	r_nbtor_refined	0.184	0.2	7693
X-RAY DIFFRACTION	r_nbtor_other	0.077	0.2	9024
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.147	0.2	833
X-RAY DIFFRACTION	r_xyhbond_nbd_other	0.032	0.2	1
X-RAY DIFFRACTION	r_metal_ion_refined	0.07	0.2	2
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.12	0.2	9
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.212	0.2	37
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.097	0.2	14
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_mcbond_it	1.272	2.5	11403
X-RAY DIFFRACTION	r_mcbond_other	0.292	2.5	3540
X-RAY DIFFRACTION	r_mcangle_it	1.45	4	14056
X-RAY DIFFRACTION	r_scbond_it	2.45	5	9912
X-RAY DIFFRACTION	r_scangle_it	3.329	8	8764
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
2	1	A	531	tight positional	0.03	0.05
1	1	B	795	medium positional	0.25	0.5
2	1	A	1137	medium positional	0.35	0.5
3	1	A	1781	medium positional	0.29	0.5
3	2	B	1781	medium positional	0.19	0.5
3	3	C	1781	medium positional	0.36	0.5
3	4	D	1781	medium positional	0.39	0.5
1	1	B	1378	loose positional	0.77	5
2	1	A	336	loose positional	0.6	5
3	1	A	3110	loose positional	0.6	5
3	2	B	3110	loose positional	0.59	5
3	3	C	3110	loose positional	0.71	5
3	4	D	3110	loose positional	0.76	5
4	1	E	322	loose positional	0.28	5
2	1	A	531	tight thermal	0.09	0.5
1	1	B	795	medium thermal	0.25	2
2	1	A	1137	medium thermal	0.48	2
3	1	A	1781	medium thermal	0.56	2
3	2	B	1781	medium thermal	0.58	2
3	3	C	1781	medium thermal	0.69	2
3	4	D	1781	medium thermal	0.62	2
1	1	B	1378	loose thermal	0.71	10
2	1	A	336	loose thermal	0.91	10
3	1	A	3110	loose thermal	1.55	10
3	2	B	3110	loose thermal	1.6	10
3	3	C	3110	loose thermal	1.73	10
3	4	D	3110	loose thermal	1.84	10
4	1	E	322	loose thermal	1.83	10

LS refinement shell

Resolution: 2.2→2.352 Å / Total num. of bins used: 8

	R_factor	Num. reflection	% reflection
R_free	0.287	1125	-
R_work	0.246	21803	-
obs	-	-	97.73 %

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	12.5969	-3.792	-1.0773	3.5513	-0.5811	4.3872	0.1841	-0.6854	0.971	0.0023	-0.1097	-0.5199	-0.1588	0.343	-0.0744	-0.1479	-0.0457	0.0799	-0.0729	0.0805	0.0121	77.7445	32.6165	35.4538
2	1.9808	-0.1528	-0.5699	2.3821	1.0346	2.9676	0.106	0.2581	0.1501	-0.1784	-0.2291	0.0134	-0.0077	-0.4362	0.1231	-0.3102	-0.0331	-0.0207	-0.1216	0.0211	-0.2355	54.0302	33.4959	45.9387
3	1.5268	-0.1312	-0.9623	0.5603	0.2552	3.1554	0.0632	-0.0697	0.1569	0.0116	0.0746	-0.2299	-0.3391	0.1507	-0.1378	-0.2184	-0.0557	-0.0627	-0.2299	0.0149	-0.0725	63.0057	53.3518	77.4628
4	7.1872	0.6353	2.6205	3.2277	0.3812	10.3753	-0.1788	-0.8034	0.0812	0.9991	0.479	0.8453	-0.2771	-1.2438	-0.3002	0.4717	0.3865	0.3438	0.4921	0.3464	0.1831	25.9274	39.5329	131.3273
5	2.6131	-0.3699	0.3246	3.678	-1.9503	4.9382	-0.1856	-0.5374	-0.0004	0.9544	0.2163	-0.08	-0.455	-0.0516	-0.0307	0.2461	0.1793	-0.0728	0.1281	0.1112	-0.2543	49.5938	37.3197	123.6952
6	2.0524	-0.3845	-0.9475	0.9286	0.2702	3.0665	-0.0674	-0.166	0.0621	0.2689	0.1405	-0.0055	-0.3854	-0.225	-0.0731	-0.1713	0.0798	-0.0248	-0.1682	0.07	-0.1951	41.3399	54.3871	90.8262
7	3.5768	-3.8411	-1.9117	10.4886	3.2568	3.4552	-0.2565	-0.3117	0.177	-0.1577	0.4167	-0.8871	0.0296	0.4126	-0.1602	-0.0807	0.0714	-0.0009	0.1328	0.0928	0.0288	67.4005	24.1667	97.8409
8	3.4851	-0.8419	-1.0134	3.1103	0.5775	2.7692	-0.2476	-0.1953	-0.6319	0.3945	0.0846	0.4464	0.3184	-0.2224	0.163	-0.2175	-0.0273	0.0914	-0.2421	0.1184	0.0456	69.0406	4.6025	81.1417
9	1.3355	-0.2265	-0.0755	1.1129	0.303	1.4478	0.0827	0.0169	0.1391	0.0449	-0.1075	-0.2223	0.0448	0.2075	0.0248	-0.283	-0.0021	0.0068	-0.336	0.0623	-0.1018	98.3427	18.5962	60.8408
10	0.3121	0.5024	-1.6687	7.2228	0.6628	10.6714	0.0271	0.9176	-0.5259	-0.6146	0.1033	-0.3464	1.2371	-0.0684	-0.1304	0.6203	0.3039	-0.0027	0.5651	-0.0548	0.3047	98.8265	-2.1139	-2.7093
11	2.3524	-0.7123	0.9539	2.811	-1.0271	6.1937	0.3073	0.8674	0.2747	-0.6757	-0.3329	-0.2555	0.6611	0.6343	0.0255	0.1251	0.3278	0.1722	0.3379	0.3226	-0.1204	96.0592	19.1483	10.0893
12	1.176	0.0313	-0.6754	2.1143	-1.293	3.486	0.1002	0.3179	-0.0214	-0.7398	-0.3123	-0.1741	0.7884	0.4394	0.2121	0.0514	0.2261	0.0307	-0.1706	0.0714	-0.1252	102.158	1.0177	42.7292
13	4.2054	0.2252	3.244	4.3356	-3.3449	7.0187	0.1149	0.2741	-0.6683	-0.7312	0.4252	0.4585	1.4569	-0.4038	-0.5401	0.1624	-0.0385	-0.0042	0.1508	0.1358	0.043	30.1157	34.1053	97.9671
14	3.5837	1.696	-1.2973	8.4797	-5.8958	15.3298	0.5319	0.1692	-0.0475	-0.3571	0.4634	0.9829	1.2071	-1.519	-0.9953	0.4309	-0.0672	-0.2059	0.1173	0.0934	0.1097	84.3061	-5.0264	27.94
15	2.2497	-2.0323	0.3741	8.8305	-4.0029	2.0124	-0.1493	-0.1765	0.0916	-0.0635	-0.0912	-0.4834	0.1842	0.3039	0.2405	-0.235	-0.021	-0.0319	-0.1937	0.0362	-0.1416	75.5865	29.6286	68.2222

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	2	A	G	125 - 258	125 - 258
3	X-RAY DIFFRACTION	2	A	G	1 - 16	1 - 16
4	X-RAY DIFFRACTION	3	A	G	259 - 437	259 - 437
5	X-RAY DIFFRACTION	4	B	H	17 - 124	17 - 124
6	X-RAY DIFFRACTION	5	B	H	125 - 258	125 - 258
7	X-RAY DIFFRACTION	5	B	H	1 - 16	1 - 16
8	X-RAY DIFFRACTION	6	B	H	259 - 437	259 - 437
9	X-RAY DIFFRACTION	7	C	I	17 - 124	17 - 124
10	X-RAY DIFFRACTION	8	C	I	125 - 258	125 - 258
11	X-RAY DIFFRACTION	8	C	I	1 - 16	1 - 16
12	X-RAY DIFFRACTION	9	C	I	259 - 437	259 - 437
13	X-RAY DIFFRACTION	10	D	J	17 - 124	17 - 124
14	X-RAY DIFFRACTION	11	D	J	125 - 258	125 - 258
15	X-RAY DIFFRACTION	11	D	J	1 - 16	1 - 16
16	X-RAY DIFFRACTION	12	D	J	259 - 437	259 - 437
17	X-RAY DIFFRACTION	13	E	A	1 - 12	1 - 12
18	X-RAY DIFFRACTION	13	H	B	63 - 75	1 - 13
19	X-RAY DIFFRACTION	14	F	C	1 - 12	1 - 12
20	X-RAY DIFFRACTION	14	I	D	63 - 75	1 - 13
21	X-RAY DIFFRACTION	15	G	E	2 - 14	1 - 13
22	X-RAY DIFFRACTION	15	J	F	61 - 73	1 - 13

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