PDB-2io4: Crystal structure of PCNA12 dimer from Sulfolobus solfataricus.

ID or keywords:

Entry

Database: PDB / ID: 2io4

Title

Crystal structure of PCNA12 dimer from Sulfolobus solfataricus.

Components

DNA polymerase sliding clamp B
DNA polymerase sliding clamp C

Keywords

DNA BINDING PROTEIN / PCNA12 heterodimer / protein-protein interaction / PCNA123 heterotrimer

Function / homology

Function and homology information

DNA polymerase processivity factor activity / leading strand elongation / regulation of DNA replication / DNA binding
Similarity search - Function

Biological species

Sulfolobus solfataricus (archaea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MAD / Resolution: 2.6 Å

Authors

Hlinkova, V. / Ling, H.

Citation

Journal: Acta Crystallogr.,Sect.D / Year: 2008
Title: Structures of monomeric, dimeric and trimeric PCNA: PCNA-ring assembly and opening.
Authors: Hlinkova, V. / Xing, G. / Bauer, J. / Shin, Y.J. / Dionne, I. / Rajashankar, K.R. / Bell, S.D. / Ling, H.

History

Deposition	Oct 9, 2006	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 8, 2008	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Derived calculations / Source and taxonomy / Version format compliance
Revision 1.2	Oct 20, 2021	Group: Database references / Derived calculations Category: database_2 / struct_conn ...database_2 / struct_conn / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.ptnr1_auth_asym_id / _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_asym_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_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.3	Feb 21, 2024	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / struct_ncs_dom_lim Item: _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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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/io/2io4 ftp://data.pdbj.org/pub/pdb/validation_reports/io/2io4	HTTPS FTP

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Related structure data

Related structure data	2ijxC 2ntiC 2ix2 2izo C: citing same article (ref.)
Similar structure data	3aix-d 1pu6-d 5yki-d 1pu8-d 1pu7-d 2r5p-d 1fqv-6 2dvz-2 Search similar-shape structures by Omokage search (details) 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

Related structure data

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#150 - Jun 2012 Sliding Clamps similarity (7) #241 - Jan 2020 Twenty Years of Molecules similarity (7)

Deposited unit

A: DNA polymerase sliding clamp B

B: DNA polymerase sliding clamp C

C: DNA polymerase sliding clamp B

D: DNA polymerase sliding clamp C

hetero molecules

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

1

A: DNA polymerase sliding clamp B

B: DNA polymerase sliding clamp C

hetero molecules

defined by author&software
55.7 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: DNA polymerase sliding clamp B

D: DNA polymerase sliding clamp C

defined by author&software
55.1 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

A: DNA polymerase sliding clamp B

B: DNA polymerase sliding clamp C

C: DNA polymerase sliding clamp B

D: DNA polymerase sliding clamp C

hetero molecules

A: DNA polymerase sliding clamp B

B: DNA polymerase sliding clamp C

C: DNA polymerase sliding clamp B

D: DNA polymerase sliding clamp C

hetero molecules

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

Unit cell

Length a, b, c (Å)	104.991, 112.727, 101.851
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	18
Space group name H-M	P2₁2₁2

Noncrystallographic symmetry (NCS)

NCS domain:
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	LYS	LYS	ASN	ASN	5	C	C	3 - 8	3 - 8
2	1	1	LYS	LYS	ASN	ASN	5	A	A	3 - 8	3 - 8
3	2	1	THR	THR	THR	THR	5	C	C	88 - 92	88 - 92
4	2	1	THR	THR	THR	THR	5	A	A	88 - 92	88 - 92
5	3	1	LYS	LYS	ARG	ARG	5	C	C	99 - 103	99 - 103
6	3	1	LYS	LYS	ARG	ARG	5	A	A	99 - 103	99 - 103
7	4	1	GLY	GLY	ILE	ILE	5	C	C	108 - 115	108 - 115
8	4	1	GLY	GLY	ILE	ILE	5	A	A	108 - 115	108 - 115
1	1	2	SER	SER	LEU	LEU	5	C	C	25 - 28	25 - 28
2	1	2	SER	SER	LEU	LEU	5	A	A	25 - 28	25 - 28
3	2	2	GLY	GLY	LEU	LEU	5	C	C	34 - 40	34 - 40
4	2	2	GLY	GLY	LEU	LEU	5	A	A	34 - 40	34 - 40
5	3	2	LEU	LEU	PRO	PRO	5	C	C	46 - 53	46 - 53
6	3	2	LEU	LEU	PRO	PRO	5	A	A	46 - 53	46 - 53
1	1	3	THR	THR	ILE	ILE	5	C	C	219 - 245	219 - 245
2	1	3	THR	THR	ILE	ILE	5	A	A	219 - 245	219 - 245
3	2	3	PHE	PHE	THR	THR	5	C	C	136 - 137	136 - 137
4	2	3	PHE	PHE	THR	THR	5	A	A	136 - 137	136 - 137
5	3	3	GLU	GLU	SER	SER	5	C	C	189 - 191	189 - 191
6	3	3	GLU	GLU	SER	SER	5	A	A	189 - 191	189 - 191
1	1	4	LYS	LYS	ILE	ILE	5	B	B	3 - 7	3 - 7
2	1	4	LYS	LYS	ILE	ILE	5	D	D	3 - 7	3 - 7
3	2	4	GLU	GLU	GLU	GLU	5	B	B	58 - 61	58 - 61
4	2	4	GLU	GLU	GLU	GLU	5	D	D	58 - 61	58 - 61
5	3	4	ILE	ILE	SER	SER	5	B	B	90 - 93	90 - 93
6	3	4	ILE	ILE	SER	SER	5	D	D	90 - 93	90 - 93
7	4	4	LEU	LEU	THR	THR	5	B	B	98 - 101	98 - 101
8	4	4	LEU	LEU	THR	THR	5	D	D	98 - 101	98 - 101
9	5	4	THR	THR	PRO	PRO	5	B	B	107 - 113	107 - 113
10	5	4	THR	THR	PRO	PRO	5	D	D	107 - 113	107 - 113
1	1	5	ILE	ILE	LYS	LYS	5	B	B	68 - 72	68 - 72
2	1	5	ILE	ILE	LYS	LYS	5	D	D	68 - 72	68 - 72
3	2	5	ALA	ALA	ILE	ILE	5	B	B	26 - 40	26 - 40
4	2	5	ALA	ALA	ILE	ILE	5	D	D	26 - 40	26 - 40
5	3	5	LEU	LEU	SER	SER	5	B	B	48 - 54	48 - 54
6	3	5	LEU	LEU	SER	SER	5	D	D	48 - 54	48 - 54
1	1	6	GLY	GLY	PRO	PRO	5	B	B	235 - 243	235 - 243
2	1	6	GLY	GLY	PRO	PRO	5	D	D	235 - 243	235 - 243
3	2	6	LEU	LEU	LEU	LEU	5	B	B	225 - 231	225 - 231
4	2	6	LEU	LEU	LEU	LEU	5	D	D	225 - 231	225 - 231
5	3	6	SER	SER	PHE	PHE	5	B	B	214 - 219	214 - 219
6	3	6	SER	SER	PHE	PHE	5	D	D	214 - 219	214 - 219
7	4	6	PHE	PHE	LEU	LEU	5	B	B	131 - 135	131 - 135
8	4	6	PHE	PHE	LEU	LEU	5	D	D	131 - 135	131 - 135
1	1	7	VAL	VAL	GLY	GLY	5	B	B	193 - 198	193 - 198
2	1	7	VAL	VAL	GLY	GLY	5	D	D	193 - 198	193 - 198
3	2	7	VAL	VAL	SER	SER	5	B	B	153 - 158	153 - 158
4	2	7	VAL	VAL	SER	SER	5	D	D	153 - 158	153 - 158
5	3	7	LEU	LEU	GLU	GLU	5	B	B	163 - 166	163 - 166
6	3	7	LEU	LEU	GLU	GLU	5	D	D	163 - 166	163 - 166
7	4	7	THR	THR	LEU	LEU	5	B	B	173 - 178	173 - 178
8	4	7	THR	THR	LEU	LEU	5	D	D	173 - 178	173 - 178
1	1	8	LEU	LEU	ASP	ASP	5	B	B	136 - 149	136 - 149
2	1	8	LEU	LEU	ASP	ASP	5	D	D	136 - 149	136 - 149
1	1	9	GLU	GLU	ARG	ARG	5	B	B	200 - 210	200 - 210
2	1	9	GLU	GLU	ARG	ARG	5	D	D	200 - 210	200 - 210
1	1	10	ALA	ALA	SER	SER	5	B	B	9 - 24	9 - 24
2	1	10	ALA	ALA	SER	SER	5	D	D	9 - 24	9 - 24
1	1	11	LEU	LEU	ARG	ARG	5	B	B	73 - 82	73 - 82
2	1	11	LEU	LEU	ARG	ARG	5	D	D	73 - 82	73 - 82
1	1	12	TYR	TYR	LEU	LEU	5	C	C	177 - 181	177 - 181
2	1	12	TYR	TYR	LEU	LEU	5	A	A	177 - 181	177 - 181
3	2	12	ILE	ILE	ILE	ILE	5	C	C	166 - 168	166 - 168
4	2	12	ILE	ILE	ILE	ILE	5	A	A	166 - 168	166 - 168
5	3	12	ARG	ARG	THR	THR	5	C	C	158 - 161	158 - 161
6	3	12	ARG	ARG	THR	THR	5	A	A	158 - 161	158 - 161
7	4	12	SER	SER	TYR	TYR	5	C	C	195 - 200	195 - 200
8	4	12	SER	SER	TYR	TYR	5	A	A	195 - 200	195 - 200
1	1	13	ASP	ASP	GLY	GLY	6	C	C	139 - 154	139 - 154
2	1	13	ASP	ASP	GLY	GLY	6	A	A	139 - 154	139 - 154
1	1	14	SER	SER	ARG	ARG	6	C	C	201 - 213	201 - 213
2	1	14	SER	SER	ARG	ARG	6	A	A	201 - 213	201 - 213
1	1	15	ALA	ALA	VAL	VAL	6	C	C	9 - 22	9 - 22
2	1	15	ALA	ALA	VAL	VAL	6	A	A	9 - 22	9 - 22
1	1	16	SER	SER	LYS	LYS	6	C	C	73 - 86	73 - 86
2	1	16	SER	SER	LYS	LYS	6	A	A	73 - 86	73 - 86

NCS ensembles :

#1: Protein	DNA polymerase sliding clamp B / Proliferating cell nuclear antigen homolog B / PCNA B Mass: 27521.695 Da / Num. of mol.: 2 / Mutation: F2V Source method: isolated from a genetically manipulated source Source: (gene. exp.) Sulfolobus solfataricus (archaea) / Strain: P2 / Gene: pcnB, pcnA-2 / Plasmid: pET33b / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL 21 (DE3) / References: UniProt: P57766
#2: Protein	DNA polymerase sliding clamp C / Proliferating cell nuclear antigen homolog C / PCNA C Mass: 27592.279 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Sulfolobus solfataricus (archaea) / Strain: P2 / Gene: pcnC, pcnA-2 / Plasmid: pET11a / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL 21 (DE3) / References: UniProt: Q97Z84
#3: Chemical	ChemComp-MPD / (4S)-2-METHYL-2,4-PENTANEDIOL Mass: 118.174 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₆H₁₄O₂ / Comment: precipitant*YM
#4: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Ca
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 171 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 2

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Sample preparation

Crystal	Density Matthews: 2.73 Å³/Da / Density % sol: 55 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 25% MPD, 20 mM CaCl2, 0.1 M MES pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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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	APS	8-BM	1	0.979
SYNCHROTRON	APS	8-BM	2	0.97912, 0.97928, 0.979313

Detector

Type	ID	Detector	Date
ADSC QUANTUM 315	1	CCD	Oct 26, 2005
ADSC QUANTUM 315	2	CCD	Oct 26, 2005

Radiation

ID	Monochromator	Protocol	Monochromatic (M) / Laue (L)	Scattering type	Wavelength-ID
1	Si 111	SINGLE WAVELENGTH	M	x-ray	1
2	Si 111	MAD	M	x-ray	1

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	0.979	1
2	0.97912	1
3	0.97928	1
4	0.979313	1

Reflection

Resolution: 2.6→30 Å / Num. all: 37787 / Num. obs: 37787 / % possible obs: 99.8 % / Redundancy: 5.2 % / B_iso Wilson estimate: 74.6 Å² / R_merge(I) obs: 0.058 / Net I/σ(I): 27.5

Reflection shell

Resolution: 2.6→2.66 Å / Redundancy: 4.9 % / R_merge(I) obs: 0.728 / Mean I/σ(I) obs: 1.92 / Num. unique all: 2491 / % possible all: 99.8

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0005	refinement
ADSC	Quantum	data collection
HKL-2000		data reduction
SCALEPACK		data scaling
SHELXD		phasing

Refinement

Method to determine structure:

MAD / Resolution: 2.6→30 Å / Cor.coef. F_o:F_c: 0.941 / Cor.coef. F_o:F_c free: 0.928 / SU B: 33.946 / SU ML: 0.34 / TLS residual ADP flag: UNVERIFIED / Cross valid method: THROUGHOUT / ESU R: 0.782 / ESU R Free: 0.318
Stereochemistry target values: MAXIMUM LIKELIHOOD WITH PHASES

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.26036	1151	3 %	RANDOM
R_work	0.23318	-	-	-
all	0.234	37787	-	-
obs	0.234	37787	99.8 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 61.387 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.81 Å²	0 Å²	0 Å²
2-	-	1.28 Å²	0 Å²
3-	-	-	-0.47 Å²

Refine analyze

	Free	Obs
Luzzati coordinate error	0.318 Å	0.782 Å

Refinement step

Cycle: LAST / Resolution: 2.6→30 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7722	0	41	171	7934

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.013	0.022	7885
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.349	1.991	10641
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.213	5	982
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	38.74	25.185	324
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	20.445	15	1481
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	21.497	15	32
X-RAY DIFFRACTION	r_chiral_restr	0.175	0.2	1249
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.02	5710
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.229	0.2	3402
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.308	0.2	5305
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.148	0.2	334
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined	0.174	0.2	1
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.241	0.2	92
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.147	0.2	12
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	0.513	1.5	5046
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.868	2	7995
X-RAY DIFFRACTION	r_scbond_it	0.995	3	3133
X-RAY DIFFRACTION	r_scangle_it	1.735	4.5	2646
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Dom-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Ens-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	C	96	medium positional	0.32	0.5
2	C	76	medium positional	0.11	0.5
3	C	128	medium positional	0.13	0.5
4	B	96	medium positional	0.22	0.5
5	B	108	medium positional	0.13	0.5
6	B	108	medium positional	0.09	0.5
7	B	88	medium positional	0.1	0.5
8	B	56	medium positional	0.11	0.5
9	B	44	medium positional	0.11	0.5
10	B	64	medium positional	0.14	0.5
11	B	40	medium positional	0.08	0.5
12	C	72	medium positional	0.16	0.5
1	C	97	loose positional	0.73	5
2	C	75	loose positional	0.46	5
3	C	122	loose positional	0.34	5
4	B	92	loose positional	0.74	5
5	B	100	loose positional	0.48	5
6	B	123	loose positional	0.4	5
7	B	85	loose positional	0.23	5
8	B	53	loose positional	0.53	5
9	B	50	loose positional	0.3	5
10	B	61	loose positional	0.23	5
11	B	44	loose positional	0.53	5
12	C	69	loose positional	0.93	5
13	C	112	loose positional	0.36	5
14	C	100	loose positional	0.5	5
15	C	113	loose positional	0.24	5
16	C	103	loose positional	0.66	5
1	C	96	medium thermal	1.1	2
2	C	76	medium thermal	0.59	2
3	C	128	medium thermal	2.53	2
4	B	96	medium thermal	0.76	2
5	B	108	medium thermal	1.09	2
6	B	108	medium thermal	3.2	2
7	B	88	medium thermal	3.13	2
8	B	56	medium thermal	2	2
9	B	44	medium thermal	1.93	2
10	B	64	medium thermal	0.57	2
11	B	40	medium thermal	0.45	2
12	C	72	medium thermal	3.19	2
1	C	97	loose thermal	1.44	10
2	C	75	loose thermal	1.05	10
3	C	122	loose thermal	2.89	10
4	B	92	loose thermal	1.1	10
5	B	100	loose thermal	1.22	10
6	B	123	loose thermal	4.19	10
7	B	85	loose thermal	3.48	10
8	B	53	loose thermal	2.29	10
9	B	50	loose thermal	2.43	10
10	B	61	loose thermal	0.66	10
11	B	44	loose thermal	0.97	10
12	C	69	loose thermal	4.07	10
13	C	112	loose thermal	4.83	10
14	C	100	loose thermal	4.63	10
15	C	113	loose thermal	1.37	10
16	C	103	loose thermal	2.19	10

LS refinement shell

Resolution: 2.6→2.667 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.426	73	-
R_work	0.397	2657	-
obs	-	2491	99.8 %

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	7.5889	-1.5487	-3.5855	1.6098	0.3807	6.2036	0.5645	0.308	0.5847	-0.2343	-0.2249	-0.2265	-0.2944	-0.7074	-0.3396	0.0571	0.0052	-0.0025	-0.0733	-0.0073	-0.0871	57.8019	-25.1423	20.8962
2	5.7363	-0.8504	-2.1475	1.2558	0.6663	3.1837	0.4069	0.2533	0.2835	-0.1038	-0.3132	0.0672	-0.0581	-1.008	-0.0937	-0.0243	-0.1019	-0.0385	0.4688	-0.0944	-0.1666	38.1132	-24.3492	28.455
3	6.2617	-3.5768	-1.1762	5.8564	-0.1714	3.5331	0.375	1.0496	0.0456	-0.4252	-0.4733	0.4513	-0.1025	-1.7761	0.0983	0.0084	-0.0341	-0.0504	0.788	-0.1429	-0.1088	36.1775	-25.5101	24.8107
4	2.8279	0.6201	0.2073	2.0862	1.6595	4.9366	-0.1857	0.992	0.1568	-0.2442	0.0899	0.226	-0.1306	-0.5618	0.0958	-0.2374	-0.12	-0.01	0.5907	-0.0159	-0.1293	22.1548	-14.0263	-47.8247
5	2.9265	0.7165	0.4201	3.8342	1.1757	3.0141	-0.0323	0.5704	0.2953	0.3741	0.1941	0.4691	0.2076	-0.431	-0.1618	-0.0742	0.0708	0.054	0.0924	0.1066	-0.0763	34.6547	-2.5801	-29.8079
6	3.4516	1.012	1.6915	8.9602	1.9512	3.4682	-0.2847	-0.3059	0.5903	1.228	0.1332	0.2003	-0.139	-0.2312	0.1515	0.32	0.096	-0.04	-0.3058	-0.0584	0.0207	24.5834	-4.4031	2.3308
7	2.485	-0.6699	0.334	5.8977	1.2593	2.0693	-0.0363	-0.1668	-0.0168	0.8199	0.1865	-0.3604	0.0184	0.045	-0.1501	0.1938	0.0314	-0.1115	-0.2815	0.018	0.0642	31.4229	-18.3239	-2.4427
8	2.2411	0.4169	-1.725	1.3002	-0.7291	5.6282	-0.3021	0.4739	-1.004	-0.0327	0.2605	-0.5145	0.6358	0.3175	0.0416	-0.045	0.0697	0.0466	-0.1374	-0.3563	0.4478	47.0859	-33.6309	-30.3023
9	2.6113	0.0155	0.5905	2.5937	-0.8447	4.6309	-0.2556	1.0901	-0.6214	-0.2517	0.4867	-0.3646	0.3603	0.2757	-0.2311	-0.2233	-0.1258	0.1068	0.5232	-0.4449	-0.033	56.2141	-16.709	-48.1731

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	1 - 104	1 - 104
2	X-RAY DIFFRACTION	2	A	A	105 - 186	105 - 186
3	X-RAY DIFFRACTION	3	A	A	187 - 249	187 - 249
4	X-RAY DIFFRACTION	4	B	B	1 - 113	1 - 113
5	X-RAY DIFFRACTION	5	B	B	114 - 246	114 - 246
6	X-RAY DIFFRACTION	6	C	C	1 - 83	1 - 83
7	X-RAY DIFFRACTION	7	C	C	84 - 249	84 - 249
8	X-RAY DIFFRACTION	8	D	D	1 - 121	1 - 121
9	X-RAY DIFFRACTION	9	D	D	122 - 245	122 - 245

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