PDB-2ijx: Crystal structure of PCNA3 monomer from Sulfolobus solfataricus.

ID or keywords:

Entry

Database: PDB / ID: 2ijx

Title

Crystal structure of PCNA3 monomer from Sulfolobus solfataricus.

Components

DNA polymerase sliding clamp A

Keywords

DNA BINDING PROTEIN / PCNA3 subunit / 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 /

MOLECULAR REPLACEMENT / Resolution: 1.9 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 1, 2006	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 16, 2007	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Refinement description ...Advisory / Refinement description / Source and taxonomy / Version format compliance
Revision 1.2	Aug 30, 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_special_symmetry / 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 / _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	2ijx.cif.gz	216.9 KB	Display	PDBx/mmCIF format
PDB format	pdb2ijx.ent.gz	176.3 KB	Display	PDB format
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Validation report

Summary document	2ijx_validation.pdf.gz	441.6 KB	Display	wwPDB validaton report
Full document	2ijx_full_validation.pdf.gz	454.7 KB	Display
Data in XML	2ijx_validation.xml.gz	22.6 KB	Display
Data in CIF	2ijx_validation.cif.gz	36.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ij/2ijx ftp://data.pdbj.org/pub/pdb/validation_reports/ij/2ijx	HTTPS FTP

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Related structure data

Related structure data	2io4C 2ntiC 1ud9S S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5ufh-d 3by1-d 4zev-2 2pq0-2 1f2k-d 4ru1-8 4tkz-3 4j49-2 2pq0-1 3oxp-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) 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

2io4C

2ntiC

1ud9S

S: Starting model for refinement

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 A

B: DNA polymerase sliding clamp A

C: DNA polymerase sliding clamp A

D: DNA polymerase sliding clamp A

hetero molecules

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

1

A: DNA polymerase sliding clamp A

hetero molecules

defined by author
27.7 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: DNA polymerase sliding clamp A

hetero molecules

defined by author
27.8 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: DNA polymerase sliding clamp A

hetero molecules

defined by author
28 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: DNA polymerase sliding clamp A

hetero molecules

defined by author
27.7 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	85.773, 85.773, 264.210
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	92
Space group name H-M	P4₁2₁2

Components on special symmetry positions

ID	Model	Components
1	1	B-642- HOH

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: 1 / Refine code: 3

Dom-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	VAL	VAL	TYR	TYR	D	D	4 - 59	4 - 59
2	1	VAL	VAL	TYR	TYR	B	B	4 - 59	4 - 59
3	1	VAL	VAL	TYR	TYR	A	A	4 - 59	4 - 59
4	1	VAL	VAL	TYR	TYR	C	C	4 - 59	4 - 59
1	2	GLU	GLU	TYR	TYR	D	D	64 - 73	64 - 73
2	2	GLU	GLU	TYR	TYR	B	B	64 - 73	64 - 73
3	2	GLU	GLU	TYR	TYR	A	A	64 - 73	64 - 73
4	2	GLU	GLU	TYR	TYR	C	C	64 - 73	64 - 73
1	3	LYS	LYS	ILE	ILE	D	D	84 - 99	84 - 99
2	3	LYS	LYS	ILE	ILE	B	B	84 - 99	84 - 99
3	3	LYS	LYS	ILE	ILE	A	A	84 - 99	84 - 99
4	3	LYS	LYS	ILE	ILE	C	C	84 - 99	84 - 99
1	4	PHE	PHE	SER	SER	D	D	128 - 144	128 - 144
2	4	PHE	PHE	SER	SER	B	B	128 - 144	128 - 144
3	4	PHE	PHE	SER	SER	A	A	128 - 144	128 - 144
4	4	PHE	PHE	SER	SER	C	C	128 - 144	128 - 144
1	5	VAL	VAL	PHE	PHE	D	D	174 - 228	174 - 228
2	5	VAL	VAL	PHE	PHE	B	B	174 - 228	174 - 228
3	5	VAL	VAL	PHE	PHE	A	A	174 - 228	174 - 228
4	5	VAL	VAL	PHE	PHE	C	C	174 - 228	174 - 228

NCS ensembles :

ID
1
2
3
4
5

Details

The biological assembly is monomer

#1: Protein	DNA polymerase sliding clamp A / Proliferating cell nuclear antigen homolog A / PCNA A Mass: 27489.119 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Sulfolobus solfataricus (archaea) / Strain: P2 / Gene: pcnA, pcnA-1 / Plasmid: pET30a / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL 21 (DE3) / References: UniProt: P57765
#2: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 20 / Source method: obtained synthetically / Formula: C₂H₆O₂
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 535 / 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: 2.21 Å³/Da / Density % sol: 44.33 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 12.5% PEG 3350, 0.15 M NH4Cl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: NSLS / Beamline: X25 / Wavelength: 1.1 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jan 1, 2004
Radiation	Monochromator: Si(111) or (220) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.1 Å / Relative weight: 1
Reflection	Resolution: 1.9→50 Å / Num. all: 75947 / Num. obs: 75947 / % possible obs: 96.3 % / Redundancy: 23.3 % / R_merge(I) obs: 0.102 / Net I/σ(I): 32.2
Reflection shell	Resolution: 1.9→1.92 Å / Redundancy: 5.8 % / R_merge(I) obs: 0.491 / Mean I/σ(I) obs: 2.2 / % possible all: 65.6

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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
CNS		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB entry 1UD9

1ud9

Resolution: 1.9→29.62 Å / Cor.coef. F_o:F_c: 0.947 / Cor.coef. F_o:F_c free: 0.916 / SU B: 5.842 / SU ML: 0.11 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: isotropic / Cross valid method: THROUGHOUT / ESU R: 0.177 / ESU R Free: 0.161 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.25055	1530	2 %	RANDOM
R_work	0.20401	-	-	-
obs	0.20493	74272	100 %	-
all	-	75802	-	-

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: 38.571 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.38 Å²	0 Å²	0 Å²
2-	-	-0.38 Å²	0 Å²
3-	-	-	0.77 Å²

Refine analyze

	Free	Obs
Luzzati coordinate error	0.162 Å	0.177 Å

Refinement step

Cycle: LAST / Resolution: 1.9→29.62 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7736	0	80	535	8351

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.016	0.022	7964
X-RAY DIFFRACTION	r_bond_other_d	0.003	0.02	7383
X-RAY DIFFRACTION	r_angle_refined_deg	1.641	1.981	10712
X-RAY DIFFRACTION	r_angle_other_deg	1.096	3	17284
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.262	5	990
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	40.681	25.947	375
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.974	15	1521
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	16.618	15	32
X-RAY DIFFRACTION	r_chiral_restr	0.118	0.2	1247
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	8719
X-RAY DIFFRACTION	r_gen_planes_other	0.003	0.02	1477
X-RAY DIFFRACTION	r_nbd_refined	0.215	0.2	1408
X-RAY DIFFRACTION	r_nbd_other	0.188	0.2	7329
X-RAY DIFFRACTION	r_nbtor_refined	0.175	0.2	3798
X-RAY DIFFRACTION	r_nbtor_other	0.088	0.2	5012
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.182	0.2	431
X-RAY DIFFRACTION	r_xyhbond_nbd_other	0.012	0.2	1
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.242	0.2	71
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.264	0.2	227
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.175	0.2	45
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	1.157	1.5	6371
X-RAY DIFFRACTION	r_mcbond_other	0.35	1.5	1993
X-RAY DIFFRACTION	r_mcangle_it	1.393	2	7956
X-RAY DIFFRACTION	r_scbond_it	2.505	3	3464
X-RAY DIFFRACTION	r_scangle_it	3.582	4.5	2747
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	D	333	tight positional	0.12	0.05
1	2	B	333	tight positional	0.09	0.05
1	3	A	333	tight positional	0.16	0.05
1	4	C	333	tight positional	0.13	0.05
2	1	D	59	tight positional	0.06	0.05
2	2	B	59	tight positional	0.06	0.05
2	3	A	59	tight positional	0.1	0.05
2	4	C	59	tight positional	0.07	0.05
3	1	D	95	tight positional	0.08	0.05
3	2	B	95	tight positional	0.07	0.05
3	3	A	95	tight positional	0.11	0.05
3	4	C	95	tight positional	0.08	0.05
4	1	D	95	tight positional	0.08	0.05
4	2	B	95	tight positional	0.11	0.05
4	3	A	95	tight positional	0.07	0.05
4	4	C	95	tight positional	0.06	0.05
5	1	D	320	tight positional	0.08	0.05
5	2	B	320	tight positional	0.1	0.05
5	3	A	320	tight positional	0.08	0.05
5	4	C	320	tight positional	0.1	0.05
1	1	D	563	loose positional	0.92	5
1	2	B	563	loose positional	0.92	5
1	3	A	563	loose positional	1.3	5
1	4	C	563	loose positional	0.9	5
2	1	D	95	loose positional	0.81	5
2	2	B	95	loose positional	0.7	5
2	3	A	95	loose positional	1.04	5
2	4	C	95	loose positional	0.69	5
3	1	D	137	loose positional	0.72	5
3	2	B	137	loose positional	0.54	5
3	3	A	137	loose positional	0.54	5
3	4	C	137	loose positional	0.55	5
4	1	D	101	loose positional	0.63	5
4	2	B	101	loose positional	0.6	5
4	3	A	101	loose positional	0.69	5
4	4	C	101	loose positional	0.96	5
5	1	D	487	loose positional	0.73	5
5	2	B	487	loose positional	0.72	5
5	3	A	487	loose positional	0.93	5
5	4	C	487	loose positional	0.64	5
1	1	D	333	tight thermal	0.24	0.5
1	2	B	333	tight thermal	0.29	0.5
1	3	A	333	tight thermal	0.27	0.5
1	4	C	333	tight thermal	0.24	0.5
2	1	D	59	tight thermal	0.2	0.5
2	2	B	59	tight thermal	0.19	0.5
2	3	A	59	tight thermal	0.24	0.5
2	4	C	59	tight thermal	0.19	0.5
3	1	D	95	tight thermal	0.19	0.5
3	2	B	95	tight thermal	0.2	0.5
3	3	A	95	tight thermal	0.23	0.5
3	4	C	95	tight thermal	0.24	0.5
4	1	D	95	tight thermal	0.14	0.5
4	2	B	95	tight thermal	0.21	0.5
4	3	A	95	tight thermal	0.23	0.5
4	4	C	95	tight thermal	0.18	0.5
5	1	D	320	tight thermal	0.21	0.5
5	2	B	320	tight thermal	0.21	0.5
5	3	A	320	tight thermal	0.24	0.5
5	4	C	320	tight thermal	0.16	0.5
1	1	D	563	loose thermal	1.44	10
1	2	B	563	loose thermal	1.78	10
1	3	A	563	loose thermal	1.46	10
1	4	C	563	loose thermal	1.48	10
2	1	D	95	loose thermal	0.91	10
2	2	B	95	loose thermal	1.32	10
2	3	A	95	loose thermal	0.98	10
2	4	C	95	loose thermal	0.83	10
3	1	D	137	loose thermal	1.09	10
3	2	B	137	loose thermal	0.77	10
3	3	A	137	loose thermal	1.11	10
3	4	C	137	loose thermal	0.85	10
4	1	D	101	loose thermal	0.8	10
4	2	B	101	loose thermal	0.79	10
4	3	A	101	loose thermal	0.95	10
4	4	C	101	loose thermal	1.01	10
5	1	D	487	loose thermal	1.17	10
5	2	B	487	loose thermal	1.13	10
5	3	A	487	loose thermal	1.38	10
5	4	C	487	loose thermal	1.27	10

LS refinement shell

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

	R_factor	Num. reflection	% reflection
R_free	0.262	87	-
R_work	0.2	4026	-
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	3.877	2.0257	-1.0944	4.0274	-1.1374	2.5954	-0.1073	-0.0132	-0.2138	-0.1744	-0.0267	-0.1542	-0.096	0.2263	0.1341	-0.1443	0.0027	0.0677	-0.1494	0.0451	-0.1234	67.4477	50.473	-409.3879
2	2.7313	0.5896	-1.0427	1.2429	-0.7752	4.7236	0.0077	0.2789	0.0338	-0.0426	-0.002	0.0401	0.1974	-0.1193	-0.0058	-0.2377	-0.0308	-0.0314	-0.071	0.056	-0.1951	40.5317	25.064	-383.0894
3	1.1364	0.6535	0.7573	2.7836	1.0841	5.8077	0.1078	-0.1995	-0.0094	0.1155	-0.1113	0.0331	-0.0879	-0.2087	0.0035	-0.1428	-0.0002	0.0536	-0.1714	0.053	-0.1632	67.5322	4.1938	-414.8038
4	4.2557	0.8769	0.6002	2.005	0.5304	3.4506	-0.133	0.2433	0.3239	-0.0317	0.0713	0.1037	-0.0377	-0.0189	0.0617	-0.195	-0.0161	-0.0398	-0.1079	0.0993	-0.0686	85.9975	25.2004	-381.4215
5	22.2887	4.1517	2.4539	2.8735	1.0828	3.9089	-0.0824	-0.5624	0.2378	0.2129	-0.0967	-0.1133	-0.3573	0.3161	0.179	-0.0805	-0.0382	-0.0121	-0.1627	0.0928	-0.2151	66.2434	59.3466	-406.0098
6	4.0268	0.7064	-0.4096	26.7015	3.4245	5.3433	0.303	0.4565	-0.1659	-0.1232	-0.451	0.1298	0.172	-0.3561	0.1479	-0.274	-0.0444	-0.0399	0.0252	0.0447	-0.2213	32.06	25.4356	-387.3471
7	7.6927	-3.1396	-0.5935	8.8082	0.9095	2.907	-0.002	-0.3607	0.2809	0.923	-0.3257	0.2213	0.0389	-0.4377	0.3277	-0.0956	-0.0734	0.0499	-0.0817	0.0288	-0.2149	64.1365	-3.7176	-411.1256
8	5.6726	-4.614	2.7067	13.1122	-4.9236	5.831	0.0452	0.3962	0.2432	-0.407	-0.2329	0.3792	-0.2733	0.1277	0.1877	-0.2261	-0.0815	-0.0603	-0.038	0.1014	-0.1166	94.3126	28.1349	-384.9224
9	6.2518	2.2769	2.2567	8.0595	6.6492	17.4878	-0.0816	0.1668	0.0206	-0.528	0.0575	-0.4189	-0.6747	0.4146	0.0241	-0.0753	-0.026	-0.0176	-0.1335	0.0787	-0.1661	70.8302	62.791	-414.8383
10	6.563	3.1814	7.0937	3.2716	4.7933	18.2362	0.1067	0.142	-0.1119	-0.1591	-0.1924	0.4101	0.3023	-1.0516	0.0857	-0.2007	-0.0447	-0.0483	0.0047	-0.0195	-0.1482	27.5256	21.685	-378.6142
11	8.8242	5.7622	-13.2081	5.8692	-6.5989	21.7181	-0.1084	-0.052	-0.1098	-0.0639	-0.0748	0.3988	0.6023	-0.5641	0.1832	-0.1453	0.0069	0.052	-0.0651	0.055	-0.1444	59.1647	-6.5019	-420.0165
12	4.2605	1.3504	-5.6242	5.9909	-6.0921	24.0858	0.2152	-0.0969	0.4983	0.0844	-0.0785	0.0887	-0.8771	0.2723	-0.1368	-0.1703	0.0003	-0.0787	-0.064	0.0607	0.0029	96.4694	33.9282	-376.5277
13	6.3793	-0.8583	-2.3187	5.9411	-2.4076	5.8609	-0.2364	0.4398	-0.2143	-1.0551	0.1751	-0.1232	0.6993	-0.2282	0.0613	0.1076	-0.082	0.0907	-0.2018	-0.0707	-0.0887	59.3365	31.7661	-414.4809
14	3.7557	-0.6128	0.8316	3.4164	-0.863	3.9752	-0.0275	0.0402	0.0782	0.2453	0.1444	-0.0223	0.0043	0.1496	-0.1169	-0.2679	-0.0101	-0.042	-0.1615	0.0125	-0.1922	58.8674	34.5049	-377.7123
15	7.3226	-0.541	-1.2795	2.5263	-0.58	0.641	0.1109	0.3526	0.2256	0.076	0.07	-0.0931	-0.0911	0.053	-0.1809	-0.1056	-0.0051	0.0643	-0.1986	0.083	-0.0977	83.4845	17.8055	-418.8518
16	5.6955	-3.4622	0.5613	7.3744	-0.3112	5.5107	-0.1669	-0.2348	-0.1576	0.5373	0.0756	-0.0732	-0.1538	-0.1865	0.0913	-0.2349	-0.0745	-0.0175	-0.1574	0.0544	-0.1325	72.0098	10.2256	-375.8458
17	2.8661	0.8639	-1.1891	5.4817	-1.7245	5.5741	-0.1724	0.1495	-0.4254	-0.717	0.0879	-0.1274	0.6027	0.0816	0.0845	-0.0205	-0.0062	0.1001	-0.1853	-0.0156	-0.0925	60.2584	31.3671	-411.622
18	4.3753	0.397	-0.9869	2.5087	0.3687	2.7629	0.0226	0.0492	0.1787	0.2131	0.1196	-0.2909	0.1544	0.1385	-0.1422	-0.2215	0.0304	-0.0171	-0.1549	0.029	-0.1811	59.4889	33.1222	-380.202
19	3.7839	1.2692	1.2297	3.778	0.3238	2.3091	-0.0283	0.1534	0.477	-0.0921	-0.0461	-0.1588	-0.3477	0.043	0.0744	-0.091	0.0324	0.0743	-0.1888	0.0482	-0.0748	82.2607	18.8093	-416.3338
20	3.8826	1.0465	0.3668	4.1148	0.7534	3.4907	-0.0289	-0.0492	0.0115	0.1899	-0.0955	0.214	0.0727	-0.2972	0.1244	-0.2187	-0.0109	-0.0091	-0.1047	0.0435	-0.1249	71.2644	10.8101	-378.6616
21	15.3142	-6.6644	-2.4276	9.1845	-1.0496	6.7026	-0.4591	0.3137	-1.0822	-0.6226	0.1827	0.8132	0.7392	-0.4237	0.2764	0.192	-0.0935	0.0614	-0.0683	-0.0339	-0.0342	51.5159	26.3688	-410.7573
22	3.1712	-3.7172	1.9697	9.0674	-3.6918	2.452	-0.0045	0.2747	0.5076	0.0643	-0.0797	-0.7287	-0.2383	0.2673	0.0842	-0.1774	0.0234	0.0174	-0.1117	0.0394	-0.0633	64.4422	42.5136	-381.7442
23	9.7285	-4.3427	2.121	4.2439	-1.3136	2.5365	0.0044	0.0116	0.8172	0.2771	-0.068	-0.3862	-0.4618	0.0646	0.0636	-0.0429	-0.0218	0.0419	-0.1893	0.0115	-0.0135	92.8372	19.8501	-413.908
24	3.3586	-5.1918	0.3115	11.0211	0.505	0.8868	0.0054	0.2222	-0.5269	0.2614	-0.124	0.2539	0.2134	-0.3987	0.1186	-0.1558	-0.0422	-0.0332	-0.0563	0.031	-0.0794	70.5546	-0.1009	-379.1384
25	18.2853	7.6825	-14.4159	6.5405	-6.7972	16.6611	-0.0619	0.4575	-0.0064	-0.3029	0.2902	-0.27	0.0197	-0.1991	-0.2283	-0.1592	0.0449	0.0983	-0.233	0.0117	-0.1262	63.9671	38.712	-407.6008
26	6.9299	5.1983	-5.6876	8.7212	-7.3846	10.8129	0.0486	0.1478	0.144	-0.0323	0.3128	0.1594	0.1976	-0.3867	-0.3614	-0.2845	0.0174	-0.0482	-0.1375	0.0363	-0.2417	52.2956	28.9423	-384.2795
27	18.467	3.2675	15.7505	4.2646	2.7322	20.337	-0.2141	0.4801	0.1383	-0.0966	0.1417	-0.0743	-0.3733	0.3888	0.0725	-0.1277	-0.0029	0.0774	-0.2495	0.0327	-0.1842	75.7142	12.6602	-412.9583
28	3.4632	-1.8619	-1.2518	17.2321	12.6653	12.8451	-0.1622	0.1404	0.0073	0.4844	0.1478	0.2189	0.4085	0.1187	0.0144	-0.2549	0.0006	0.0072	-0.101	0.1063	-0.1587	77.3556	16.7246	-382.5973

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	8 - 59
2	X-RAY DIFFRACTION	2	B	8 - 59
3	X-RAY DIFFRACTION	3	C	8 - 59
4	X-RAY DIFFRACTION	4	D	8 - 59
5	X-RAY DIFFRACTION	5	A	64 - 73
6	X-RAY DIFFRACTION	6	B	64 - 73
7	X-RAY DIFFRACTION	7	C	64 - 73
8	X-RAY DIFFRACTION	8	D	64 - 73
9	X-RAY DIFFRACTION	9	A	84 - 97
10	X-RAY DIFFRACTION	10	B	84 - 97
11	X-RAY DIFFRACTION	11	C	84 - 97
12	X-RAY DIFFRACTION	12	D	84 - 97
13	X-RAY DIFFRACTION	13	A	128 - 144
14	X-RAY DIFFRACTION	14	B	128 - 144
15	X-RAY DIFFRACTION	15	C	128 - 144
16	X-RAY DIFFRACTION	16	D	128 - 144
17	X-RAY DIFFRACTION	17	A	174 - 228
18	X-RAY DIFFRACTION	18	B	174 - 228
19	X-RAY DIFFRACTION	19	C	174 - 228
20	X-RAY DIFFRACTION	20	D	174 - 228
21	X-RAY DIFFRACTION	21	A	148 - 169
22	X-RAY DIFFRACTION	22	B	148 - 171
23	X-RAY DIFFRACTION	23	C	148 - 171
24	X-RAY DIFFRACTION	24	D	148 - 171
25	X-RAY DIFFRACTION	25	A	230 - 244
26	X-RAY DIFFRACTION	26	B	230 - 244
27	X-RAY DIFFRACTION	27	C	230 - 244
28	X-RAY DIFFRACTION	28	D	230 - 244

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