PDB-2hqt: Crystal structures of the interacting domains from yeast glutamyl...

Basic information

• Entry: Database: PDB / ID: 2hqt
• Title: Crystal structures of the interacting domains from yeast glutamyl-tRNA synthetase and tRNA aminoacylation and nuclear export cofactor Arc1p reveal a novel function for an old fold
• Components: GU4 nucleic-binding protein 1
• Keywords: BIOSYNTHETIC PROTEIN / RNA BINDING / GST-fold

Function / homology

Function:

methionyl glutamyl tRNA synthetase complex / glutamyl-tRNA aminoacylation / methionyl-tRNA aminoacylation / tRNA aminoacylation for protein translation / phosphatidylinositol-3-phosphate binding / phosphatidylinositol-3,5-bisphosphate binding / enzyme activator activity / cytoplasmic stress granule / tRNA binding / cytoplasm

Domain/homology:

tRNA-binding domain / Putative tRNA binding domain / tRNA-binding domain profile. / Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 - #10 / Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2 / Glutathione S-transferase, C-terminal domain superfamily / Nucleic acid-binding, OB-fold / Up-down Bundle / Mainly Alpha

Component:

tRNA-aminoacylation cofactor ARC1

• Biological species: Saccharomyces cerevisiae (brewer's yeast)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 1.9 Å
• Authors: Simader, H. / Hothorn, M. / Suck, D.

Citation

Journal: ACTA CRYSTALLOGR.,SECT.D / Year: 2006
Title: Structures of the interacting domains from yeast glutamyl-tRNA synthetase and tRNA-aminoacylation and nuclear-export cofactor Arc1p reveal a novel function for an old fold.
Authors: Simader, H. / Hothorn, M. / Suck, D.

#1: Journal: Acta Crystallogr.,Sect.F / Year: 2006
Title: Expression, purification, crystallisation and preliminary phasing of the heteromerisation domain of the tRNA export and aminoacylation cofactor Arc1p from yeast
Authors: Simader, H. / Suck, D.

#2: Journal: To be Published
Title: Structural basis of yeast aminoacyl-tRNA synthetase complex formation revealed by crystal structures of two binary sub-complexes
Authors: Simader, H. / Hothorn, M. / Koehler, C. / Basquin, J. / Simos, G. / Suck, D.

History

Deposition	Jul 19, 2006	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 5, 2006	Provider: repository / Type: Initial release
Revision 1.1	May 1, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.3	Oct 18, 2017	Group: Refinement description / Category: software / Item: _software.name
Revision 1.4	Feb 14, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond / database_2 / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Assembly

Deposited unit

A: GU4 nucleic-binding protein 1

B: GU4 nucleic-binding protein 1

C: GU4 nucleic-binding protein 1

D: GU4 nucleic-binding protein 1

E: GU4 nucleic-binding protein 1

F: GU4 nucleic-binding protein 1

G: GU4 nucleic-binding protein 1

H: GU4 nucleic-binding protein 1

I: GU4 nucleic-binding protein 1

J: GU4 nucleic-binding protein 1

K: GU4 nucleic-binding protein 1

L: GU4 nucleic-binding protein 1

M: GU4 nucleic-binding protein 1

N: GU4 nucleic-binding protein 1

O: GU4 nucleic-binding protein 1

P: GU4 nucleic-binding protein 1

Q: GU4 nucleic-binding protein 1

R: GU4 nucleic-binding protein 1

S: GU4 nucleic-binding protein 1

T: GU4 nucleic-binding protein 1

hetero molecules

Summary:

• 285 kDa, 20 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	284,922	30
Polymers	283,962	20
Non-polymers	961	10
Water	24,590	1365

1

A: GU4 nucleic-binding protein 1

hetero molecules

Summary:

• defined by author&software
• 14.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,294	2
Polymers	14,198	1
Non-polymers	96	1
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

2

B: GU4 nucleic-binding protein 1

hetero molecules

Summary:

• defined by author&software
• 14.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,294	2
Polymers	14,198	1
Non-polymers	96	1
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

3

C: GU4 nucleic-binding protein 1

Summary:

• defined by author&software
• 14.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,198	1
Polymers	14,198	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

4

D: GU4 nucleic-binding protein 1

Summary:

• defined by author&software
• 14.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,198	1
Polymers	14,198	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

5

E: GU4 nucleic-binding protein 1

hetero molecules

Summary:

• defined by author&software
• 14.4 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,390	3
Polymers	14,198	1
Non-polymers	192	2
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

6

F: GU4 nucleic-binding protein 1

Summary:

• defined by author&software
• 14.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,198	1
Polymers	14,198	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

7

G: GU4 nucleic-binding protein 1

Summary:

• defined by author&software
• 14.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,198	1
Polymers	14,198	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

8

H: GU4 nucleic-binding protein 1

Summary:

• defined by author&software
• 14.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,198	1
Polymers	14,198	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

9

I: GU4 nucleic-binding protein 1

hetero molecules

Summary:

• defined by author&software
• 14.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,294	2
Polymers	14,198	1
Non-polymers	96	1
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

10

J: GU4 nucleic-binding protein 1

hetero molecules

Summary:

• defined by author&software
• 14.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,294	2
Polymers	14,198	1
Non-polymers	96	1
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

11

K: GU4 nucleic-binding protein 1

Summary:

• defined by author&software
• 14.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,198	1
Polymers	14,198	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

12

L: GU4 nucleic-binding protein 1

Summary:

• defined by author&software
• 14.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,198	1
Polymers	14,198	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

13

M: GU4 nucleic-binding protein 1

hetero molecules

Summary:

• defined by author&software
• 14.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,294	2
Polymers	14,198	1
Non-polymers	96	1
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

14

N: GU4 nucleic-binding protein 1

hetero molecules

Summary:

• defined by author&software
• 14.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,294	2
Polymers	14,198	1
Non-polymers	96	1
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

15

O: GU4 nucleic-binding protein 1

Summary:

• defined by author&software
• 14.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,198	1
Polymers	14,198	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

16

P: GU4 nucleic-binding protein 1

Summary:

• defined by author&software
• 14.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,198	1
Polymers	14,198	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

17

Q: GU4 nucleic-binding protein 1

hetero molecules

Summary:

• defined by author&software
• 14.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,294	2
Polymers	14,198	1
Non-polymers	96	1
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

18

R: GU4 nucleic-binding protein 1

Summary:

• defined by author&software
• 14.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,198	1
Polymers	14,198	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

19

S: GU4 nucleic-binding protein 1

hetero molecules

Summary:

• defined by author&software
• 14.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,294	2
Polymers	14,198	1
Non-polymers	96	1
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

20

T: GU4 nucleic-binding protein 1

Summary:

• defined by author&software
• 14.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	14,198	1
Polymers	14,198	1
Non-polymers	0	0
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

Unit cell

Length a, b, c (Å)	222.317, 89.463, 126.792
Angle α, β, γ (deg.)	90.00, 99.39, 90.00
Int Tables number	5
Space group name H-M	C121

Components

#1: Protein

A B C D E F G H I J K L M N O P Q R S T
GU4 nucleic-binding protein 1 / G4p1 protein / P42 / ARC1 protein

Details:

Mass: 14198.076 Da / Num. of mol.: 20 / Fragment: residues 1-122
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: ARC1 / Plasmid: pETm-derivative / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 DE3 Star / References: UniProt: P46672

#2: Chemical

A-2002 B-2001 E-2003 E-2004 I-2005 J-2006 M-2008 N-2007 Q-2009 S-2010
ChemComp-SO4 / SULFATE ION / Sulfate

Details:

Mass: 96.063 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: SO₄

#3: Water

ChemComp-HOH / water / Water

Details:

Mass: 18.015 Da / Num. of mol.: 1365 / Source method: isolated from a natural source / Formula: H₂O

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 2.21 ų/Da / Density % sol: 44.32 %
• Crystal grow: Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 ; Details: 35 % PEG3350, 100 mM LiSO4, 50 mM Tris-acetate pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Data collection

Diffraction

ID	Mean temperature (K)	Crystal-ID
1	100	1
2	100	1
1,2		1

Diffraction source

Source	Site	Beamline	ID	Wavelength (Å)
SYNCHROTRON	ESRF	ID23-1	1	0.97925, 0.97945, 0.95375
SYNCHROTRON	SLS	X06SA	2	0.95372

Detector

Type	ID	Detector	Date
MARMOSAIC 225 mm CCD	1	CCD	Dec 17, 2004
MARMOSAIC 225 mm CCD	2	CCD	Apr 29, 2005

Radiation

ID	Monochromator	Protocol	Monochromatic (M) / Laue (L)	Scattering type	Wavelength-ID
1	LN2 cooled channel-cut Si(111) monocrystal monochromator	MAD	M	x-ray	1
2	LN2 cooled fixed-exit Si(111) monochromator	SINGLE WAVELENGTH	M	x-ray	1

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	0.97925	1
2	0.97945	1
3	0.95375	1
4	0.95372	1

• Reflection: Resolution: 1.9→50 Å / Num. obs: 187177 / % possible obs: 97 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 4.3 % / R_sym value: 0.041 / Net I/σ(I): 18.5
• Reflection shell: Resolution: 1.9→2 Å / Redundancy: 4 % / Mean I/σ(I) obs: 3.77 / Num. unique all: 26403 / R_sym value: 0.44 / % possible all: 96.5

Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
XDS		data reduction
XSCALE		data scaling
SHELXCD		phasing
SHELXD		phasing
SOLVE		phasing
RESOLVE		phasing

Refinement

Method to determine structure: MAD / Resolution: 1.9→50 Å / Cor.coef. F_o:F_c: 0.956 / Cor.coef. F_o:F_c free: 0.929 / SU B: 8.628 / SU ML: 0.13 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.185 / ESU R Free: 0.172 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	Rfactor	Num. reflection	% reflection	Selection details
Rfree	0.26239	9383	5 %	RANDOM
Rwork	0.20925	-	-	-
all	0.21193	183275	-	-
obs	0.21193	177795	97.01 %	-

• Solvent computation: Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK

Displacement parameters

B_iso mean: 35.613 Ų

	Baniso -1	Baniso -2	Baniso -3
1-	1.18 Å2	0 Å2	-0.25 Å2
2-	-	0.75 Å2	0 Å2
3-	-	-	-2.01 Å2

Refinement step

Cycle: LAST / Resolution: 1.9→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	18561	0	50	1365	19976

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.015	0.022	18981
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	12126
X-RAY DIFFRACTION	r_angle_refined_deg	1.48	1.958	25892
X-RAY DIFFRACTION	r_angle_other_deg	0.958	3	29939
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.054	5	2329
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	42.008	24.882	764
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	16.16	15	3253
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	16.808	15	60
X-RAY DIFFRACTION	r_chiral_restr	0.087	0.2	3190
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	20461
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	3575
X-RAY DIFFRACTION	r_nbd_refined	0.238	0.2	4865
X-RAY DIFFRACTION	r_nbd_other	0.192	0.2	12980
X-RAY DIFFRACTION	r_nbtor_refined	0.19	0.2	9829
X-RAY DIFFRACTION	r_nbtor_other	0.093	0.2	9088
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.161	0.2	1153
X-RAY DIFFRACTION	r_xyhbond_nbd_other	0.027	0.2	1
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.35	0.2	134
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.231	0.2	210
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.217	0.2	52
X-RAY DIFFRACTION	r_mcbond_it	0.978	1.5	15224
X-RAY DIFFRACTION	r_mcbond_other	0.218	1.5	4639
X-RAY DIFFRACTION	r_mcangle_it	1.221	2	19273
X-RAY DIFFRACTION	r_scbond_it	2.251	3	8343
X-RAY DIFFRACTION	r_scangle_it	3.088	4.5	6619

LS refinement shell

Resolution: 1.9→1.949 Å / Total num. of bins used: 20

	Rfactor	Num. reflection	% reflection
Rfree	0.307	658	-
Rwork	0.257	13032	-
obs	-	-	96.43 %

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	2.7231	-0.0064	0.8477	2.05	0.0358	5.5166	-0.152	0.4472	0.4361	-0.2745	-0.1054	-0.2126	-0.6301	0.457	0.2574	-0.2022	-0.0129	-0.0115	-0.1933	0.0897	-0.021	41.3732	24.0738	19.7431
2	0.9369	-0.3219	0.2824	1.8595	-1.7059	5.6683	-0.0112	-0.1435	-0.012	0.0776	0.025	0.1565	-0.1627	-0.4849	-0.0138	-0.2736	0.0305	0.0068	-0.2332	-0.0086	-0.1799	36.0531	14.0739	50.657
3	2.508	-0.5806	-1.1198	2.7516	-2.454	7.4744	0.0963	0.4434	-0.0748	-0.3407	-0.1529	-0.4362	0.5062	0.8144	0.0566	-0.1255	0.1535	0.011	0.0745	0.0361	-0.1083	55.4008	6.9293	18.7102
4	3.5639	-0.5571	-0.153	2.5463	-0.2026	4.2995	0.0954	-0.1172	-0.2701	0.1178	-0.1194	-0.1182	0.434	0.2182	0.0241	-0.204	0.061	-0.0436	-0.2787	0.0073	-0.1747	47.603	-3.5626	47.1028
5	3.4064	-0.2271	-0.3937	2.7296	-0.4217	5.5628	0.0029	0.0756	0.4282	-0.2023	-0.0598	-0.2139	-0.9887	-0.0888	0.0569	-0.0709	0.0063	-0.0229	-0.2878	-0.0297	-0.0802	89.1345	23.727	16.6382
6	2.1253	0.6968	-0.785	1.7088	-1.2208	8.5341	-0.0813	-0.1069	0.1054	0.1264	-0.0411	0.1012	-0.512	-0.3702	0.1224	-0.2587	0.0517	0.0108	-0.0825	-0.1436	-0.2049	81.9578	13.8128	47.0097
7	2.4108	-0.1437	-0.6452	2.4066	-0.3168	3.7633	-0.1297	0.2485	0.1243	-0.2934	-0.06	-0.0624	0.287	0.0773	0.1897	-0.2252	-0.0169	0.0105	-0.2355	0.051	-0.2375	98.854	4.3935	13.5167
8	2.7777	-0.9221	-1.7898	2.0281	-0.5241	9.7364	-0.4016	-0.3043	-0.5256	0.2686	-0.0999	0.0259	1.2023	-0.0333	0.5015	-0.0019	-0.0207	0.1057	-0.1802	-0.012	-0.1472	89.8473	-4.8144	42.4768
9	3.7476	-0.0441	-1.8745	1.981	-0.6671	7.3701	0.1257	0.1159	0.5205	-0.2241	-0.0296	-0.1096	-0.7877	-0.0766	-0.0961	-0.1128	-0.0097	-0.0128	-0.2856	-0.005	0.0058	66.5513	-20.8499	15.7334
10	2.4282	0.3506	-0.3893	1.2299	-1.3192	8.0379	-0.029	-0.2353	0.1368	0.0656	-0.0437	0.0939	-0.1593	0.1243	0.0726	-0.2895	0.0525	-0.0018	-0.2154	-0.0875	-0.1482	59.0451	-30.3867	45.775
11	3.3435	0.0433	-1.7576	2.5146	-1.3002	7.8605	-0.1712	0.0572	-0.0198	-0.3313	-0.0826	-0.282	0.7598	0.5837	0.2538	-0.0763	0.0867	0.0395	-0.1644	0.0343	-0.1537	76.2078	-40.5206	12.6829
12	3.4844	0.7653	-0.9386	2.7116	-0.5951	6.0076	-0.2636	-0.2569	-0.4962	0.0389	-0.0055	-0.005	0.8427	0.3532	0.2691	0.0541	0.1233	0.0308	-0.2041	0.007	-0.1081	65.2771	-49.873	41.3509
13	2.4106	0.6946	-1.9376	3.6596	-0.0059	5.7305	0.2041	0.0169	0.2777	-0.2792	-0.275	-0.0965	-1.3539	-0.2175	0.0708	0.169	0.072	-0.0166	-0.2237	-0.0099	-0.1514	109.1934	-21.0079	17.0651
14	3.042	0.5424	-2.9518	2.5708	-1.9402	13.6228	0.0468	-0.3972	0.1167	0.4933	-0.3204	0.0616	-1.5935	-0.1326	0.2736	0.0832	0.0122	0.0268	-0.1255	-0.0665	-0.1876	103.1855	-31.6828	48.2927
15	2.8709	0.5202	-0.7589	2.7643	0.0526	2.8797	-0.1255	0.1111	-0.0499	-0.2327	-0.0757	-0.0611	0.06	0.3829	0.2012	-0.2307	0.0042	-0.0137	-0.1691	0.092	-0.2075	121.0475	-39.9471	15.0486
16	1.8507	-1.1147	-0.9386	1.9893	-0.6244	6.7322	-0.2139	-0.1509	-0.4031	0.2803	-0.1226	0.0544	0.7257	0.2145	0.3365	-0.0335	0.0277	0.09	-0.1322	0.0622	-0.1422	111.9684	-50.4103	44.1481
17	2.2145	-0.0728	0.3801	2.2989	0.3315	3.9736	-0.0817	0.3121	0.2448	-0.2776	-0.0608	-0.1242	-0.623	0.3297	0.1426	-0.2039	-0.0158	0.0186	-0.2299	0.0727	-0.1747	129.8474	24.185	18.557
18	1.8514	-0.0212	-0.0179	1.7036	-1.3983	6.0499	-0.0356	-0.2936	0.004	0.1731	0.0048	0.0565	-0.2831	-0.2309	0.0308	-0.3014	0.018	0.0246	-0.2584	0.0206	-0.2331	124.6507	13.7401	49.7219
19	2.7143	-0.099	-0.6138	1.7872	-1.3147	4.8883	0.0586	0.2975	-0.1627	-0.1847	-0.1201	-0.2244	0.2986	0.5168	0.0615	-0.1897	0.1241	0.0146	-0.0628	-0.0049	-0.1792	144.1529	7.4786	17.3807
20	2.3321	-0.9335	0.0045	3.207	-1.0837	6.0798	0.0559	-0.1368	-0.2893	0.0355	-0.0202	-0.028	0.6119	0.1344	-0.0356	-0.1722	0.0545	-0.0288	-0.2788	0.0269	-0.1945	136.3058	-3.6791	46.2009

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	A	4 - 119	4 - 119
2	X-RAY DIFFRACTION	2	B	B	5 - 121	5 - 121
3	X-RAY DIFFRACTION	3	C	C	5 - 121	5 - 121
4	X-RAY DIFFRACTION	4	D	D	3 - 122	3 - 122
5	X-RAY DIFFRACTION	5	E	E	5 - 121	5 - 121
6	X-RAY DIFFRACTION	6	F	F	4 - 120	4 - 120
7	X-RAY DIFFRACTION	7	G	G	4 - 121	4 - 121
8	X-RAY DIFFRACTION	8	H	H	5 - 121	5 - 121
9	X-RAY DIFFRACTION	9	I	I	5 - 121	5 - 121
10	X-RAY DIFFRACTION	10	J	J	4 - 121	4 - 121
11	X-RAY DIFFRACTION	11	K	K	4 - 121	4 - 121
12	X-RAY DIFFRACTION	12	L	L	4 - 120	4 - 120
13	X-RAY DIFFRACTION	13	M	M	4 - 120	4 - 120
14	X-RAY DIFFRACTION	14	N	N	4 - 121	4 - 121
15	X-RAY DIFFRACTION	15	O	O	4 - 121	4 - 121
16	X-RAY DIFFRACTION	16	P	P	3 - 120	3 - 120
17	X-RAY DIFFRACTION	17	Q	Q	4 - 119	4 - 119
18	X-RAY DIFFRACTION	18	R	R	5 - 121	5 - 121
19	X-RAY DIFFRACTION	19	S	S	5 - 120	5 - 120
20	X-RAY DIFFRACTION	20	T	T	3 - 122	3 - 122