PDB-3d8a: Co-crystal structure of TraM-TraD complex.

ID or keywords:

Entry

Database: PDB / ID: 3d8a

Title

Co-crystal structure of TraM-TraD complex.

Components

Protein traD
Relaxosome protein TraM

Keywords

DNA BINDING PROTEIN / TraM tetramerization domain / TraD C-terminal peptide / protein complex / Conjugation / DNA-binding / ATP-binding / Inner membrane / Membrane / Nucleotide-binding / Transmembrane

Function / homology

Function and homology information

unidirectional conjugation / DNA binding / ATP binding / plasma membrane / cytoplasm
Similarity search - Function

Biological species

Escherichia coli (E. coli)

Escherichia coli K12 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.55 Å

Authors

Glover, J.N.M. / Lu, J. / Wong, J.J. / Edwards, R.A.

Citation

Journal: Mol.Microbiol. / Year: 2008
Title: Structural basis of specific TraD-TraM recognition during F plasmid-mediated bacterial conjugation.
Authors: Lu, J. / Wong, J.J. / Edwards, R.A. / Manchak, J. / Frost, L.S. / Glover, J.N.

History

Deposition	May 22, 2008	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 9, 2008	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.2	Jun 28, 2017	Group: Database references / Source and taxonomy / Structure summary Category: entity / entity_src_gen ...entity / entity_src_gen / struct_ref / struct_ref_seq Item: _entity.pdbx_description / _entity_src_gen.gene_src_strain ..._entity.pdbx_description / _entity_src_gen.gene_src_strain / _entity_src_gen.pdbx_beg_seq_num / _entity_src_gen.pdbx_end_seq_num / _entity_src_gen.pdbx_gene_src_scientific_name / _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_seq_type
Revision 1.3	Aug 30, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.end_auth_comp_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3d8a.cif.gz	118.4 KB	Display	PDBx/mmCIF format
PDB format	pdb3d8a.ent.gz	95.8 KB	Display	PDB format
PDBx/mmJSON format	3d8a.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/d8/3d8a ftp://data.pdbj.org/pub/pdb/validation_reports/d8/3d8a	HTTPS FTP

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Related structure data

Related structure data	2g07S 2g7o S: Starting model for refinement
Similar structure data	1xa1-2 2iqt-d 2ah9-1 5qat-4 1xa1-3 3q82-1 4ou4-d 5qa5-2 5tv6-1 6ecf-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

Deposited unit

A: Relaxosome protein TraM

B: Relaxosome protein TraM

C: Relaxosome protein TraM

D: Relaxosome protein TraM

E: Relaxosome protein TraM

F: Relaxosome protein TraM

G: Relaxosome protein TraM

H: Relaxosome protein TraM

S: Protein traD

T: Protein traD

U: Protein traD

V: Protein traD

W: Protein traD

X: Protein traD

Y: Protein traD

Z: Protein traD

72.5 kDa, 16 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

E: Relaxosome protein TraM

F: Relaxosome protein TraM

G: Relaxosome protein TraM

H: Relaxosome protein TraM

W: Protein traD

X: Protein traD

Y: Protein traD

Z: Protein traD

defined by author&software
36.2 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

A: Relaxosome protein TraM

B: Relaxosome protein TraM

C: Relaxosome protein TraM

D: Relaxosome protein TraM

S: Protein traD

T: Protein traD

U: Protein traD

V: Protein traD

defined by author&software
36.2 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	142.246, 142.246, 70.950
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	146
Space group name H-M	H3

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: 1

Dom-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	ASN	ASN	SER	SER	2	A	A	62 - 91	5 - 34
2	1	ASN	ASN	SER	SER	2	B	B	62 - 91	5 - 34
3	1	ASN	ASN	SER	SER	2	C	C	62 - 91	5 - 34
4	1	ASN	ASN	SER	SER	2	D	D	62 - 91	5 - 34
5	1	ASN	ASN	SER	SER	2	E	E	62 - 91	5 - 34
6	1	ASN	ASN	SER	SER	2	F	F	62 - 91	5 - 34
7	1	ASN	ASN	SER	SER	2	G	G	62 - 91	5 - 34
8	1	ASN	ASN	SER	SER	2	H	H	62 - 91	5 - 34
1	2	GLU	GLU	ARG	ARG	2	A	A	101 - 119	44 - 62
2	2	GLU	GLU	ARG	ARG	2	B	B	101 - 119	44 - 62
3	2	GLU	GLU	ARG	ARG	2	C	C	101 - 119	44 - 62
4	2	GLU	GLU	ARG	ARG	2	D	D	101 - 119	44 - 62
5	2	GLU	GLU	ARG	ARG	2	E	E	101 - 119	44 - 62
6	2	GLU	GLU	ARG	ARG	2	F	F	101 - 119	44 - 62
7	2	GLU	GLU	ARG	ARG	2	G	G	101 - 119	44 - 62
8	2	GLU	GLU	ARG	ARG	2	H	H	101 - 119	44 - 62
1	3	PRO	PRO	PHE	PHE	6	A	A	92 - 100	35 - 43
2	3	PRO	PRO	PHE	PHE	6	B	B	92 - 100	35 - 43
3	3	PRO	PRO	PHE	PHE	6	C	C	92 - 100	35 - 43
4	3	PRO	PRO	PHE	PHE	6	D	D	92 - 100	35 - 43
5	3	PRO	PRO	PHE	PHE	6	E	E	92 - 100	35 - 43
6	3	PRO	PRO	PHE	PHE	6	F	F	92 - 100	35 - 43
7	3	PRO	PRO	PHE	PHE	6	G	G	92 - 100	35 - 43
8	3	PRO	PRO	PHE	PHE	6	H	H	92 - 100	35 - 43
1	4	VAL	VAL	PHE	PHE	3	S	I	711 - 717	4 - 10
2	4	VAL	VAL	PHE	PHE	3	T	J	711 - 717	4 - 10
3	4	VAL	VAL	PHE	PHE	3	U	K	711 - 717	4 - 10
4	4	VAL	VAL	PHE	PHE	3	V	L	711 - 717	4 - 10
5	4	VAL	VAL	PHE	PHE	3	W	M	711 - 717	4 - 10
6	4	VAL	VAL	PHE	PHE	3	X	N	711 - 717	4 - 10
7	4	VAL	VAL	PHE	PHE	3	Y	O	711 - 717	4 - 10
8	4	VAL	VAL	PHE	PHE	3	Z	P	711 - 717	4 - 10

NCS ensembles :

ID	Details
1	A B C D E F G H
4	S T U V W X Y Z
2	A B C D E F G H
3	A B C D E F G H

#1: Protein	Relaxosome protein TraM Mass: 7980.898 Da / Num. of mol.: 8 / Fragment: UNP database residues 58-127 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (strain K12) (bacteria) Strain: K12 / Gene: traM, ECOK12F071 / Production host: Escherichia coli (E. coli) / References: UniProt: P10026
#2: Protein/peptide	Protein traD Mass: 1079.029 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli K12 (bacteria) / Gene: traD, ECOK12F102 / Production host: Escherichia coli (E. coli) / References: UniProt: P09130*PLUS
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 12 / 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: 1.91 Å³/Da / Density % sol: 35.46 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 30% PEG 2000, 100 mM tris HCl pH 8.5, 200 mM sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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Data collection

Diffraction	Mean temperature: 105 K
Diffraction source	Source: SYNCHROTRON / Site: ALS / Beamline: 8.3.1 / Wavelength: 1.11588 Å
Detector	Type: ADSC QUANTUM 210 / Detector: CCD
Radiation	Monochromator: DOUBLE CRYSTAL SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.11588 Å / Relative weight: 1
Reflection	Resolution: 2.55→71.07 Å / Num. all: 17494 / Num. obs: 17494 / % possible obs: 100 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0
Reflection shell	Resolution: 2.55→2.56 Å / % possible all: 100

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
Blu-Ice		data collection
DENZO		data reduction
SCALEPACK		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2G07

2g07

Cor.coef. F_o:F_c: 0.936 / Cor.coef. F_o:F_c free: 0.906 / Highest resolution: 2.55 Å / SU B: 20.356 / SU ML: 0.27 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.346 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.25746	884	5.1 %	RANDOM
R_work	0.21767	-	-	-
all	0.21973	17453	-	-
obs	0.21973	16609	99.95 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 41.975 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.13 Å²	0.06 Å²	0 Å²
2-	-	0.13 Å²	0 Å²
3-	-	-	-0.19 Å²

Refinement step

Cycle: LAST / Highest resolution: 2.55 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4456	0	0	12	4468

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.011	0.022	4528
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.058	1.969	6083
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.401	5	545
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	34.775	25.733	225
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	16.934	15	825
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.979	15	16
X-RAY DIFFRACTION	r_chiral_restr	0.083	0.2	673
X-RAY DIFFRACTION	r_gen_planes_refined	0.003	0.02	3416
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.206	0.2	2037
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.299	0.2	3183
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.119	0.2	125
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.203	0.2	61
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.166	0.2	3
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.392	1.5	2884
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.682	2	4528
X-RAY DIFFRACTION	r_scbond_it	0.997	3	1804
X-RAY DIFFRACTION	r_scangle_it	1.575	4.5	1555
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	A	120	tight positional	0.04	0.05
1	2	B	120	tight positional	0.03	0.05
1	3	C	120	tight positional	0.03	0.05
1	4	D	120	tight positional	0.03	0.05
1	5	E	120	tight positional	0.03	0.05
1	6	F	120	tight positional	0.03	0.05
1	7	G	120	tight positional	0.03	0.05
1	8	H	120	tight positional	0.03	0.05
2	1	A	76	tight positional	0.03	0.05
2	2	B	76	tight positional	0.04	0.05
2	3	C	76	tight positional	0.03	0.05
2	4	D	76	tight positional	0.03	0.05
2	5	E	76	tight positional	0.02	0.05
2	6	F	76	tight positional	0.04	0.05
2	7	G	76	tight positional	0.03	0.05
2	8	H	76	tight positional	0.02	0.05
4	1	S	28	tight positional	0.04	0.05
4	2	T	28	tight positional	0.03	0.05
4	3	U	28	tight positional	0.04	0.05
4	4	V	28	tight positional	0.03	0.05
4	5	W	28	tight positional	0.03	0.05
4	6	X	28	tight positional	0.04	0.05
4	7	Y	28	tight positional	0.03	0.05
4	8	Z	28	tight positional	0.03	0.05
1	1	A	109	medium positional	0.28	0.5
1	2	B	109	medium positional	0.34	0.5
1	3	C	109	medium positional	0.29	0.5
1	4	D	109	medium positional	0.31	0.5
1	5	E	109	medium positional	0.34	0.5
1	6	F	109	medium positional	0.49	0.5
1	7	G	109	medium positional	0.31	0.5
1	8	H	109	medium positional	0.37	0.5
2	1	A	83	medium positional	0.42	0.5
2	2	B	83	medium positional	0.54	0.5
2	3	C	83	medium positional	0.61	0.5
2	4	D	83	medium positional	0.55	0.5
2	5	E	83	medium positional	0.43	0.5
2	6	F	83	medium positional	0.51	0.5
2	7	G	83	medium positional	0.39	0.5
2	8	H	83	medium positional	0.62	0.5
3	1	A	68	loose positional	0.45	5
3	2	B	68	loose positional	0.26	5
3	3	C	68	loose positional	0.24	5
3	4	D	68	loose positional	0.3	5
3	5	E	68	loose positional	0.33	5
3	6	F	68	loose positional	0.45	5
3	7	G	68	loose positional	0.31	5
3	8	H	68	loose positional	0.44	5
4	1	S	27	loose positional	0.57	5
4	2	T	27	loose positional	0.58	5
4	3	U	27	loose positional	0.58	5
4	4	V	27	loose positional	0.37	5
4	5	W	27	loose positional	0.46	5
4	6	X	27	loose positional	0.73	5
4	7	Y	27	loose positional	0.65	5
4	8	Z	27	loose positional	0.6	5
1	1	A	120	tight thermal	0.06	0.5
1	2	B	120	tight thermal	0.08	0.5
1	3	C	120	tight thermal	0.06	0.5
1	4	D	120	tight thermal	0.09	0.5
1	5	E	120	tight thermal	0.06	0.5
1	6	F	120	tight thermal	0.05	0.5
1	7	G	120	tight thermal	0.06	0.5
1	8	H	120	tight thermal	0.06	0.5
2	1	A	76	tight thermal	0.05	0.5
2	2	B	76	tight thermal	0.09	0.5
2	3	C	76	tight thermal	0.06	0.5
2	4	D	76	tight thermal	0.08	0.5
2	5	E	76	tight thermal	0.08	0.5
2	6	F	76	tight thermal	0.06	0.5
2	7	G	76	tight thermal	0.05	0.5
2	8	H	76	tight thermal	0.05	0.5
4	1	S	28	tight thermal	0.1	0.5
4	2	T	28	tight thermal	0.14	0.5
4	3	U	28	tight thermal	0.05	0.5
4	4	V	28	tight thermal	0.06	0.5
4	5	W	28	tight thermal	0.06	0.5
4	6	X	28	tight thermal	0.1	0.5
4	7	Y	28	tight thermal	0.06	0.5
4	8	Z	28	tight thermal	0.1	0.5
1	1	A	109	medium thermal	0.43	2
1	2	B	109	medium thermal	0.5	2
1	3	C	109	medium thermal	0.44	2
1	4	D	109	medium thermal	0.48	2
1	5	E	109	medium thermal	0.32	2
1	6	F	109	medium thermal	0.34	2
1	7	G	109	medium thermal	0.36	2
1	8	H	109	medium thermal	0.32	2
2	1	A	83	medium thermal	0.33	2
2	2	B	83	medium thermal	0.56	2
2	3	C	83	medium thermal	0.54	2
2	4	D	83	medium thermal	0.36	2
2	5	E	83	medium thermal	0.33	2
2	6	F	83	medium thermal	0.38	2
2	7	G	83	medium thermal	0.31	2
2	8	H	83	medium thermal	0.33	2
3	1	A	68	loose thermal	1.57	10
3	2	B	68	loose thermal	4.7	10
3	3	C	68	loose thermal	2.26	10
3	4	D	68	loose thermal	6.42	10
3	5	E	68	loose thermal	4.59	10
3	6	F	68	loose thermal	4.14	10
3	7	G	68	loose thermal	3.13	10
3	8	H	68	loose thermal	2.81	10
4	1	S	27	loose thermal	2.25	10
4	2	T	27	loose thermal	2.06	10
4	3	U	27	loose thermal	0.84	10
4	4	V	27	loose thermal	1.08	10
4	5	W	27	loose thermal	1.54	10
4	6	X	27	loose thermal	1.48	10
4	7	Y	27	loose thermal	1.3	10
4	8	Z	27	loose thermal	1.82	10

LS refinement shell

Resolution: 2.55→2.614 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.293	64	-
R_work	0.257	1239	-
obs	-	-	100 %

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	11.1312	-11.255	-3.2252	21.3658	5.0824	3.2329	0.2635	-0.5302	0.0565	0.1522	-0.2689	0.8754	-0.0775	-0.3168	0.0054	-0.3355	0.0459	0.0713	-0.2722	-0.0645	-0.003	-22.38	20.697	-21.738
2	9.1086	-10.8818	-4.8302	23.6809	7.9255	13.8421	-0.3052	-1.6144	0.5821	2.259	0.1889	-0.9684	0.3157	-0.2907	0.1163	0.0301	-0.0395	-0.1375	0.1218	-0.0664	0.0466	-9.138	17.772	-10.333
3	5.2837	-0.5708	-2.064	3.7628	0.3352	6.4323	0.0843	-0.8417	0.8931	0.7501	0.1081	-0.1004	-0.327	0.184	-0.1924	-0.2125	-0.0019	-0.0018	-0.2581	-0.1418	0.1113	-12.477	27.761	-21.838
4	21.1455	-10.6566	-15.8234	12.1536	7.5274	14.939	0.5438	0.1421	0.6154	-0.7291	-0.5863	0.695	-0.6477	-1.1111	0.0425	-0.306	0.0227	-0.0935	-0.1995	-0.0631	0.2541	-24.416	28.749	-35.057
5	13.9036	-5.0026	-4.2224	7.6096	1.578	4.4579	-0.2382	-1.0799	-0.0908	1.1466	-0.0521	0.4387	-0.1257	-0.0663	0.2902	-0.1497	-0.0046	0.0531	-0.1696	-0.1107	-0.0593	-15.41	21.325	-16.836
6	14.8936	-13.74	-5.0143	42.7138	12.527	6.7843	-0.4995	0.1464	2.3189	1.2431	0.8818	-0.1114	-0.2674	0.738	-0.3824	-0.1966	-0.0702	-0.035	-0.2103	0.0093	0.394	-5.303	33.58	-24.915
7	5.2205	-4.3454	-1.8924	15.9921	6.4279	6.7691	0.0445	-0.5	0.8164	-0.25	0.2142	0.0217	-0.516	-0.0387	-0.2587	-0.3517	0.0137	0.0346	-0.3676	-0.0632	0.1198	-19.526	27.113	-26.72
8	12.6636	-8.8209	-13.4347	13.8193	16.9956	27.193	0.1723	-0.1526	0.0422	1.4128	-0.2325	0.9677	0.8364	-1.0577	0.0602	-0.0642	-0.0771	0.2238	-0.2173	0.0265	0.2953	-28.164	12.885	-20.263
9	13.0273	-13.542	-5.4259	26.9682	3.7256	7.3331	-0.073	0.2478	-0.1296	-0.1984	0.0351	0.0151	0.6451	-0.3101	0.0379	-0.1283	-0.0142	0.0247	-0.1067	-0.0591	-0.0421	-58.955	12.755	-40.003
10	17.8064	-10.8611	-20.9715	18.0669	9.7562	25.5046	0.8212	2.4551	1.0712	-1.1401	-0.5066	-0.4208	-0.8334	-1.7776	-0.3146	0.107	0.0498	-0.0243	0.4064	0.2473	0.1186	-56.879	25.365	-52.344
11	1.5823	0.2083	-1.5733	10.5758	8.9481	17.6356	-0.0077	0.1433	-0.1609	-0.542	0.0505	-0.6627	-0.6823	1.154	-0.0428	-0.2096	0.0058	0.0618	-0.102	0.0278	0.0462	-48.752	19.79	-40.249
12	4.9407	-14.7107	-9.5921	55.2107	21.6237	22.8395	0.0254	-0.1392	0	3.239	-0.1693	-1.7101	2.385	-0.0688	0.1439	0.2645	-0.1327	-0.2428	-0.2128	0.0785	0.259	-52.1	9.352	-26.352
13	3.323	0.4715	-1.3399	15.998	8.9081	11.2312	-0.1236	1.0371	0.1024	-0.3668	-0.0414	0.131	0.0687	-0.2847	0.165	-0.1733	0.0264	0.0666	0.015	-0.0064	-0.0228	-55.765	18.833	-45.255
14	21.3143	-13.5326	-10.9573	23.677	10.8155	12.6872	0.6398	-0.0147	0.296	0.1564	0.4448	-2.1681	-0.3866	1.3894	-1.0846	-0.0121	-0.1224	-0.0162	0.1126	-0.0028	0.3346	-41.082	24.799	-37.11
15	21.3125	-8.3827	-12.4359	14.186	6.5151	12.3748	0.2934	-0.5992	-0.2856	0.2411	-0.3052	-1.2195	0.383	0.6237	0.0118	-0.1749	0.0101	-0.0208	-0.2337	0.0325	0.0839	-51.922	13.76	-34.996
16	8.5201	-0.1587	-7.0806	14.8256	15.718	22.2734	-0.4782	1.6159	-0.3766	0.281	0.25	0.6564	1.1862	-1.3726	0.2282	-0.0561	-0.0736	-0.0188	0.3448	-0.0218	0.1491	-67.901	9.687	-41.637

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	60 - 91	3 - 34
2	X-RAY DIFFRACTION	2	A	A	101 - 122	44 - 65
3	X-RAY DIFFRACTION	3	B	B	60 - 91	3 - 34
4	X-RAY DIFFRACTION	4	B	B	101 - 122	44 - 65
5	X-RAY DIFFRACTION	5	C	C	60 - 91	3 - 34
6	X-RAY DIFFRACTION	6	C	C	101 - 122	44 - 65
7	X-RAY DIFFRACTION	7	D	D	60 - 91	3 - 34
8	X-RAY DIFFRACTION	8	D	D	101 - 122	44 - 65
9	X-RAY DIFFRACTION	9	E	E	60 - 91	3 - 34
10	X-RAY DIFFRACTION	10	E	E	101 - 122	44 - 65
11	X-RAY DIFFRACTION	11	F	F	60 - 91	3 - 34
12	X-RAY DIFFRACTION	12	F	F	101 - 122	44 - 65
13	X-RAY DIFFRACTION	13	G	G	60 - 91	3 - 34
14	X-RAY DIFFRACTION	14	G	G	101 - 122	44 - 65
15	X-RAY DIFFRACTION	15	H	H	60 - 91	3 - 34
16	X-RAY DIFFRACTION	16	H	H	101 - 122	44 - 65

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