PDB-4pog: MCM-ssDNA co-crystal structure

ID or keywords:

Entry

Database: PDB / ID: 4pog

Title

MCM-ssDNA co-crystal structure

Components

30-mer oligo(dT)
Cell division control protein 21

Keywords

REPLICATION / DNA BINDING PROTEIN/DNA / OB-fold / DNA replication / DNA BINDING PROTEIN-DNA complex

Function / homology

Function and homology information

intein-mediated protein splicing / MCM complex / single-stranded DNA helicase activity / single-stranded DNA binding / endonuclease activity / DNA helicase / DNA replication / cell division / ATP binding / metal ion binding
Similarity search - Function

Biological species

Pyrococcus furiosus (archaea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.203 Å

Authors

Froelich, C.A. / Kang, S. / Epling, L.B. / Bell, S.P. / Enemark, E.J.

Citation

Journal: Elife / Year: 2014
Title: A conserved MCM single-stranded DNA binding element is essential for replication initiation.
Authors: Froelich, C.A. / Kang, S. / Epling, L.B. / Bell, S.P. / Enemark, E.J.

History

Deposition	Feb 25, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 9, 2014	Provider: repository / Type: Initial release
Revision 1.1	Dec 24, 2014	Group: Database references
Revision 1.2	Nov 22, 2017	Group: Refinement description / Category: software
Revision 1.3	Sep 20, 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_ref_seq_dif / 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_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_label_asym_id / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4pog.cif.gz	1.2 MB	Display	PDBx/mmCIF format
PDB format	pdb4pog.ent.gz	1 MB	Display	PDB format
PDBx/mmJSON format	4pog.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	4pog_validation.pdf.gz	570 KB	Display	wwPDB validaton report
Full document	4pog_full_validation.pdf.gz	655.2 KB	Display
Data in XML	4pog_validation.xml.gz	109.5 KB	Display
Data in CIF	4pog_validation.cif.gz	145.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/po/4pog ftp://data.pdbj.org/pub/pdb/validation_reports/po/4pog	HTTPS FTP

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Related structure data

Related structure data	4pofSC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5iy0-d 4pof-d 2vl6-1 6uge-d 4lk3-d 20763 6ugf-d 20805 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	#67 - Jul 2005 TATA-Binding Protein similarity (1) #168 - Dec 2013 DNA Helicase similarity (12) #255 - Mar 2021 Cisplatin and DNA similarity (1) #91 - Jul 2007 Thymine Dimers similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #253 - Jan 2021 Expressome similarity (1) #131 - Nov 2010 Inteins similarity (13) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #135 - Mar 2011 Integrase similarity (1) #150 - Jun 2012 Sliding Clamps similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #227 - Nov 2018 Telomerase similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (1) #84 - Dec 2006 Transposase similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #219 - Mar 2018 Vacuolar ATPase similarity (12) #119 - Nov 2009 Designed DNA Crystal similarity (1) #125 - May 2010 Parvoviruses similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #23 - Nov 2001 DNA similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

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Deposited unit

A: Cell division control protein 21

B: Cell division control protein 21

C: Cell division control protein 21

D: Cell division control protein 21

E: Cell division control protein 21

F: Cell division control protein 21

G: Cell division control protein 21

H: Cell division control protein 21

I: Cell division control protein 21

J: Cell division control protein 21

K: Cell division control protein 21

L: Cell division control protein 21

X: 30-mer oligo(dT)

V: 30-mer oligo(dT)

Y: 30-mer oligo(dT)

Z: 30-mer oligo(dT)

hetero molecules

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

1

A: Cell division control protein 21

B: Cell division control protein 21

C: Cell division control protein 21

D: Cell division control protein 21

E: Cell division control protein 21

F: Cell division control protein 21

X: 30-mer oligo(dT)

Z: 30-mer oligo(dT)

hetero molecules

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

2

G: Cell division control protein 21

H: Cell division control protein 21

I: Cell division control protein 21

J: Cell division control protein 21

K: Cell division control protein 21

L: Cell division control protein 21

V: 30-mer oligo(dT)

Y: 30-mer oligo(dT)

hetero molecules

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

Unit cell

Length a, b, c (Å)	94.277, 113.398, 196.855
Angle α, β, γ (deg.)	90.00, 101.35, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
4	1	D
5	1	E
6	1	F
7	1	G
8	1	H
9	1	I
10	1	J
11	1	K
12	1	L

NCS domain segments:

Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: SER / Beg label comp-ID: SER / End auth comp-ID: LYS / End label comp-ID: LYS / Refine code: 4 / Auth seq-ID: 0 - 254 / Label seq-ID: 1 - 255

Dom-ID	Auth asym-ID	Label asym-ID
1	A	A
2	B	B
3	C	C
4	D	D
5	E	E
6	F	F
7	G	G
8	H	H
9	I	I
10	J	J
11	K	K
12	L	L

#1: Protein	Cell division control protein 21 / MCM Mass: 29400.711 Da / Num. of mol.: 12 / Fragment: N-terminal domain (UNP residues 2-256) Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pyrococcus furiosus (archaea) / Strain: ATCC 43587 / DSM 3638 / JCM 8422 / Vc1 / Gene: Cdc21, PF0482 / Plasmid: pRSFduet pLE009.3 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)RIPL / References: UniProt: Q8U3I4
#2: DNA chain	30-mer oligo(dT) Mass: 9080.827 Da / Num. of mol.: 4 / Source method: obtained synthetically
#3: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: Zn

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.65 Å³/Da / Density % sol: 53.61 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 50 mM MES, pH 6.0, 10 mM magnesium acetate, 28.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jul 30, 2010
Radiation	Monochromator: Rosenbaum-Rock double-crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 3.203→50 Å / Num. all: 66924 / Num. obs: 66920 / % possible obs: 100 % / Observed criterion σ(I): -3 / Redundancy: 4.1 % / R_merge(I) obs: 0.109 / Net I/σ(I): 13.4
Reflection shell	Resolution: 3.203→3.31 Å / Redundancy: 4.1 % / R_merge(I) obs: 0.786 / Mean I/σ(I) obs: 1.64 / Num. unique all: 6626 / % possible all: 100

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Processing

Software

Name	Version	Classification
SERGUI		data collection
PHASER		phasing
REFMAC	5.5.0102	refinement
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4POF

4pof

Resolution: 3.203→48.51 Å / Cor.coef. F_o:F_c: 0.91 / Cor.coef. F_o:F_c free: 0.869 / SU B: 80.109 / SU ML: 0.585 / Cross valid method: THROUGHOUT / ESU R Free: 0.601 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.29399	3376	5 %	RANDOM
R_work	0.25691	-	-	-
obs	0.25877	63497	99.62 %	-

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: 129.847 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	9.84 Å²	0 Å²	1.93 Å²
2-	-	-5.38 Å²	0 Å²
3-	-	-	-3.7 Å²

Refinement step

Cycle: LAST / Resolution: 3.203→48.51 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	24346	584	12	0	24942

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.008	0.022	25455
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.164	2.003	34490
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.554	5	3039
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	39.794	24.64	1207
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	16.277	15	4610
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	14.119	15	188
X-RAY DIFFRACTION	r_chiral_restr	0.071	0.2	3927
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.021	18902
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
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
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
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	12.035	1.5	15242
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	16.941	2	24884
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	3.284	3	10213
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	5.267	4.5	9606
X-RAY DIFFRACTION	r_scangle_other
X-RAY DIFFRACTION	r_long_range_B_refined
X-RAY DIFFRACTION	r_long_range_B_other
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 / Ens-ID: 1 / Number: 1731 / Refine-ID: X-RAY DIFFRACTION

Auth asym-ID	Type	Rms dev position (Å)	Weight position
A	medium positional	0.67	0.5
B	medium positional	0.42	0.5
C	medium positional	0.39	0.5
D	medium positional	0.76	0.5
E	medium positional	0.51	0.5
F	medium positional	0.54	0.5
G	medium positional	1.24	0.5
H	medium positional	0.46	0.5
I	medium positional	0.58	0.5
J	medium positional	0.84	0.5
K	medium positional	0.8	0.5
L	medium positional	0.49	0.5
A	medium thermal	9.54	2
B	medium thermal	7.35	2
C	medium thermal	6.43	2
D	medium thermal	8.04	2
E	medium thermal	14.05	2
F	medium thermal	6.55	2
G	medium thermal	20.94	2
H	medium thermal	27.02	2
I	medium thermal	24.77	2
J	medium thermal	12.02	2
K	medium thermal	9.4	2
L	medium thermal	11.73	2

LS refinement shell

Resolution: 3.203→3.286 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.373	218	-
R_work	0.372	4453	-
obs	-	4671	95.29 %

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	6.4457	2.313	2.1543	8.6888	4.2976	7.6234	-0.3747	0.9636	1.2853	-0.5747	0.6649	-0.4976	-1.0171	0.9883	-0.2902	1.2269	-0.4298	0.2111	0.7804	0.1566	0.8356	-7.3877	104.6709	168.3457
2	3.474	-1.7336	-0.4992	3.1712	1.7542	2.033	0.1917	0.1611	-0.0002	-0.6289	0.0266	0.1332	-0.0987	-0.074	-0.2183	0.804	-0.0907	-0.0184	0.993	0.0211	0.7551	-20.7456	84.154	167.3329
3	11.595	-2.8695	4.792	3.0327	-2.7285	4.4649	-0.3015	0.3193	0.1187	0.416	0.2842	-0.3716	-0.2072	0.5745	0.0174	0.7871	-0.1068	-0.0218	0.9087	-0.2293	0.7805	-1.039	81.0508	187.4509
4	6.7218	-1.9897	-0.349	7.0579	0.5138	4.8744	0.5532	0.4049	0.182	-1.5	-0.443	-0.6201	-0.2641	0.1665	-0.1102	1.2919	0.0635	0.1787	0.7212	0.1121	0.4597	-8.1756	66.1267	135.502
5	3.3261	-2.6182	0.255	7.0138	-1.8958	3.1695	0.0438	-0.2975	-0.2327	0.1231	0.0454	0.7051	0.114	-0.3989	-0.0893	0.8889	-0.0686	-0.0628	0.8575	0.0246	0.8116	-20.4023	56.0491	154.4621
6	11.1868	3.4869	4.893	2.2845	1.5043	4.427	-0.1002	0.1377	-0.6432	-0.2922	0.5719	-0.3653	-0.9875	0.234	-0.4717	0.6688	-0.0628	0.0724	0.8572	-0.2316	0.8317	1.2402	71.9993	163.729
7	2.923	0.5759	-0.4733	5.3132	-0.1742	8.8665	-0.4403	-0.2079	0.0643	-0.2049	-0.0635	-0.2294	1.2074	0.4078	0.5037	1.212	0.3044	0.402	0.6367	0.0926	0.6753	-6.1968	19.5142	152.7183
8	1.0438	0.0907	0.2078	0.1261	-0.9672	9.3857	-0.4873	-0.1359	0.1315	-0.0737	0.0293	-0.1258	0.3692	-0.7366	0.458	1.127	0.1058	0.1597	0.8846	0.0079	0.755	-20.2865	29.9389	170.0136
9	10.8792	0.7707	0.4279	4.8216	1.5664	0.5795	-0.2161	-0.32	0.1149	-0.0706	0.0181	-0.3162	-0.0493	0.1055	0.198	0.8718	-0.0158	-0.219	0.9809	0.3999	0.911	1.7212	46.8138	163.325
10	4.9518	-0.3667	1.388	7.6023	0.3494	4.2173	0.3997	-0.614	-0.5082	-0.5803	-0.16	-0.5032	0.6326	0.4826	-0.2396	0.9292	0.1886	0.0476	0.6834	0.2504	0.8236	-10.2985	9.1014	201.8357
11	2.3769	-0.4161	0.1433	4.8866	0.582	0.9172	0.2023	-0.0298	-0.032	-0.2856	-0.2097	0.0771	-0.1054	0.0176	0.0073	0.8656	0.064	-0.0032	0.8435	0.008	0.7499	-23.868	29.333	199.8246
12	14.7266	4.4106	-2.9253	2.9669	0.2775	6.3905	-0.1985	-0.4829	0.4174	-0.4682	-0.175	0.1261	0.3016	1.2925	0.3735	0.7752	0.211	0.097	1.0549	0.3583	0.6219	0.0877	33.4243	184.9573
13	5.552	1.9131	1.8517	10.1208	-0.8031	2.5244	0.5949	-0.5	0.1405	1.8363	-0.4018	-0.6382	0.158	0.0258	-0.1931	1.9924	-0.3213	-0.0564	0.5698	0.0192	0.1686	-18.8702	47.2385	234.0484
14	2.3933	3.7666	0.4094	9.2094	-2.4254	3.0166	0.1378	0.0811	0.2073	0.5854	0.0483	0.7771	-0.2439	-0.0378	-0.186	1.3183	0.0191	0.2271	0.7167	-0.0337	0.8142	-26.787	57.2272	212.6539
15	8.2597	-3.1004	-1.9307	6.239	-2.1624	2.2625	0.1927	0.5351	0.3292	0.6049	-0.6839	-1.7441	-0.4586	0.137	0.4912	0.8291	-0.2137	-0.1463	0.8428	0.1433	1.2341	-3.1669	42.285	208.5454
16	4.9916	1.0344	-0.2372	2.1634	0.6382	8.386	-0.0131	0.0402	0.1768	0.8291	-0.2786	-0.3731	-0.1245	0.1327	0.2917	1.5577	-0.0107	-0.0952	0.5239	-0.1249	0.4818	-16.1656	94.0528	217.6692
17	2.0919	0.2122	-1.3276	0.3077	0.6146	4.4403	-0.0259	0.1154	-0.1725	0.3075	0.026	-0.174	0.1802	-0.658	0	1.0368	-0.0836	0.0639	0.9319	-0.0532	0.7011	-24.4037	83.0561	197.1083
18	12.0629	-5.5981	0.5495	4.1544	-1.8565	2.8053	-0.3192	-0.2907	-0.3981	0.784	-0.4417	-0.4472	0.3631	0.4619	0.7609	1.4103	-0.0443	-0.1019	0.7067	0.1054	0.7686	-3.4829	67.7895	209.3067
19	6.7304	1.7453	-2.4444	2.9254	2.8132	9.638	-0.4846	0.1197	-0.2102	0.435	-0.0917	0.843	0.0606	-0.5307	0.5763	1.5516	0.0797	0.6618	0.29	0.1428	0.8146	-6.727	99.3092	135.6106
20	1.7743	-2.8752	-0.7967	10.8483	2.024	0.5611	-0.8548	0.4927	-0.0311	2.3692	0.8337	0.8863	0.4563	0.1972	0.0211	1.4487	0.2121	0.4391	1.0686	0.1918	0.7912	9.415	99.044	117.643
21	16.1031	-2.2446	5.6304	7.1951	-2.0091	2.3103	0.2182	0.5537	-0.0348	0.9044	-0.2753	1.5341	0.0451	0.4395	0.0572	0.7543	0.1268	0.6897	0.5293	0.1369	1.4359	-11.6792	117.5067	112.867
22	4.6303	2.8011	1.2341	6.5945	0.3228	6.6177	-0.0323	0.2057	-0.1634	1.1476	-0.5261	1.755	1.632	0.1963	0.5584	0.951	0.0336	0.7138	0.3866	0.1079	1.4183	-1.097	64.5141	101.9022
23	2.8419	0.4342	-0.5924	4.0216	0.7465	2.9196	-0.0032	-0.0957	0.1694	0.455	0.1542	0.7895	0.159	0.6909	-0.151	0.2373	0.0676	-0.0465	0.9311	0.1752	1.0062	12.7004	82.5246	92.4133
24	10.2441	-6.0246	2.0779	9.9585	7.1175	11.4177	-1.3308	1.4537	-2.265	0.6659	-1.7761	3.9075	-0.1841	-0.6099	3.1069	0.1904	-0.0953	0.4277	0.4166	-0.5559	2.7828	-11.2595	93.669	103.3093
25	3.7238	0.8871	2.1364	16.2761	1.1158	10.3725	-0.1489	0.1604	-0.0595	-3.2118	0.2209	1.0635	1.8241	0.0024	-0.072	2.8229	-0.3608	-0.7674	0.0868	0.1305	0.271	7.1335	77.4068	53.5257
26	1.0588	-0.4763	0.6152	4.953	-4.7517	4.8194	-0.0192	-0.4194	0.1559	-1.3373	-0.6475	-0.3084	0.8879	0.7881	0.6668	1.2909	-0.0037	-0.1784	0.8389	0.1878	0.8246	17.6121	96.1067	65.741
27	9.0976	-1.2327	0.9611	2.2645	-4.8199	11.9997	0.6006	-0.1462	-0.2265	-0.2275	1.1633	1.1806	-0.1996	-1.5333	-1.7639	0.5505	-0.2833	-0.6945	1.0603	0.8514	1.7004	-7.1182	90.4222	78.0955
28	3.7399	-1.7128	-0.2157	12.0728	3.3296	6.6192	0.2355	-0.2518	0.1608	-1.6397	0.097	-0.2012	-0.0754	-0.2724	-0.3325	1.3989	-0.2321	-0.1195	0.4298	0.0427	0.562	12.7749	125.9682	40.7091
29	3.0264	-3.9906	-0.9384	9.2189	2.0257	3.0937	-0.2106	-0.3617	-0.0355	0.633	0.3068	-0.7451	0.1853	-0.0107	-0.0962	1.1179	-0.1953	-0.3448	0.618	-0.0162	0.9697	19.7685	126.1149	64.4879
30	18.582	5.3946	-2.3011	2.6695	-2.1998	2.6412	-0.1931	-0.5374	0.0158	-0.2003	0.2655	-0.1098	0.4567	-0.3516	-0.0723	1.2189	-0.1167	-0.5901	0.5337	0.1525	0.7536	-3.6162	109.8538	63.0103
31	4.4612	-0.7936	-2.1007	4.6559	-0.9472	8.1047	0.0721	0.0603	0.2254	-0.9586	0.2476	0.4256	-0.8976	-0.3711	-0.3198	1.2686	-0.1146	-0.15	0.4812	0.0996	0.7274	7.8541	161.6436	75.9973
32	0.6646	0.1441	-1.2156	3.9815	-2.7106	3.968	-0.079	-0.1737	-0.0269	-0.4677	0.1424	0.1444	0.1534	0.3063	-0.0634	0.3936	-0.1604	-0.1843	0.9473	0.006	0.8496	15.696	142.6786	89.73
33	11.0968	1.7552	3.3044	2.2549	3.4194	5.3579	0.3257	-0.0935	-0.1699	-0.4067	-0.2962	0.0986	-0.2221	-0.5389	-0.0295	1.0719	-0.1959	-0.5073	0.6484	0.2625	0.8231	-3.9989	135.1666	70.5593
34	4.6418	-1.1171	0.2174	4.503	-0.4291	7.0095	-0.0667	0.1286	0.1405	0.6624	0.008	0.4483	-0.5378	0.0327	0.0588	0.4262	0.0507	0.119	0.7956	0.0871	0.8928	-3.7465	149.1604	123.3738
35	0.8852	1.5866	-0.3939	4.0277	0.783	3.0527	-0.2158	0.0475	0.1002	0.4257	0.1571	0.3176	0.9044	0.7585	0.0587	0.6905	0.2018	0.156	1.0427	0.1573	0.8385	10.2879	130.1676	116.6939
36	8.5449	2.3777	5.4817	4.3012	-2.5382	10.6633	-0.6421	0.1121	0.1192	-0.3998	0.9035	0.9387	0.4448	-0.9841	-0.2614	0.3893	-0.1475	-0.0714	0.963	0.1515	1.1223	-8.1529	136.4666	95.8327

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	0 - 100
2	X-RAY DIFFRACTION	2	A	101 - 127
3	X-RAY DIFFRACTION	2	A	183 - 254
4	X-RAY DIFFRACTION	3	A	128 - 182
5	X-RAY DIFFRACTION	3	A	301
6	X-RAY DIFFRACTION	4	B	0 - 100
7	X-RAY DIFFRACTION	5	B	101 - 127
8	X-RAY DIFFRACTION	5	B	183 - 254
9	X-RAY DIFFRACTION	6	B	128 - 182
10	X-RAY DIFFRACTION	6	B	301
11	X-RAY DIFFRACTION	7	C	0 - 100
12	X-RAY DIFFRACTION	8	C	101 - 127
13	X-RAY DIFFRACTION	8	C	183 - 254
14	X-RAY DIFFRACTION	9	C	128 - 182
15	X-RAY DIFFRACTION	9	C	301
16	X-RAY DIFFRACTION	10	D	0 - 100
17	X-RAY DIFFRACTION	11	D	101 - 127
18	X-RAY DIFFRACTION	11	D	183 - 254
19	X-RAY DIFFRACTION	12	D	128 - 182
20	X-RAY DIFFRACTION	12	D	301
21	X-RAY DIFFRACTION	13	E	0 - 100
22	X-RAY DIFFRACTION	14	E	101 - 127
23	X-RAY DIFFRACTION	14	E	183 - 254
24	X-RAY DIFFRACTION	15	E	128 - 182
25	X-RAY DIFFRACTION	15	E	301
26	X-RAY DIFFRACTION	16	F	0 - 100
27	X-RAY DIFFRACTION	17	F	101 - 127
28	X-RAY DIFFRACTION	17	F	183 - 254
29	X-RAY DIFFRACTION	18	F	128 - 182
30	X-RAY DIFFRACTION	18	F	301
31	X-RAY DIFFRACTION	19	G	0 - 100
32	X-RAY DIFFRACTION	20	G	101 - 127
33	X-RAY DIFFRACTION	20	G	183 - 254
34	X-RAY DIFFRACTION	21	G	128 - 182
35	X-RAY DIFFRACTION	21	G	301
36	X-RAY DIFFRACTION	22	H	0 - 100
37	X-RAY DIFFRACTION	23	H	101 - 127
38	X-RAY DIFFRACTION	23	H	183 - 254
39	X-RAY DIFFRACTION	24	H	128 - 182
40	X-RAY DIFFRACTION	24	H	301
41	X-RAY DIFFRACTION	25	I	0 - 100
42	X-RAY DIFFRACTION	26	I	101 - 127
43	X-RAY DIFFRACTION	26	I	183 - 254
44	X-RAY DIFFRACTION	27	I	128 - 182
45	X-RAY DIFFRACTION	27	I	301
46	X-RAY DIFFRACTION	28	J	0 - 100
47	X-RAY DIFFRACTION	29	J	101 - 127
48	X-RAY DIFFRACTION	29	J	183 - 254
49	X-RAY DIFFRACTION	30	J	128 - 182
50	X-RAY DIFFRACTION	30	J	301
51	X-RAY DIFFRACTION	31	K	0 - 100
52	X-RAY DIFFRACTION	32	K	101 - 127
53	X-RAY DIFFRACTION	32	K	183 - 254
54	X-RAY DIFFRACTION	33	K	128 - 182
55	X-RAY DIFFRACTION	33	K	301
56	X-RAY DIFFRACTION	34	L	0 - 100
57	X-RAY DIFFRACTION	35	L	101 - 127
58	X-RAY DIFFRACTION	35	L	183 - 254
59	X-RAY DIFFRACTION	36	L	128 - 182
60	X-RAY DIFFRACTION	36	L	301

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