PDB-8f6b: Crystal structure of murine PolG2 hexamer bound to DNA

ID or keywords:

Entry

Database: PDB / ID: 8f6b

Title

Crystal structure of murine PolG2 hexamer bound to DNA

Components

DNA (5'-D(*CP*TP*GP*GP*TP*AP*GP*GP*CP*GP*CP*CP*TP*AP*CP*CP*AP*G)-3')
PolG2

Keywords

DNA BINDING PROTEIN/DNA / DNA Complex / PolG accessory subunit / mitochondria / mtDNA / processivity factor / DNA BINDING PROTEIN / DNA BINDING PROTEIN-DNA complex

Function / homology

Function and homology information

DNA replication / mitochondrion
Similarity search - Function

Biological species

Mus musculus (house mouse)

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.75 Å

Authors

Wojtaszek, J.L. / Hoff, K.E. / Williams, R.S.

Funding support

United States, 1items

Citation

Journal: Nucleic Acids Res. / Year: 2023
Title: Structure-specific roles for PolG2-DNA complexes in maintenance and replication of mitochondrial DNA.
Authors: Wojtaszek, J.L. / Hoff, K.E. / Longley, M.J. / Kaur, P. / Andres, S.N. / Wang, H. / Williams, R.S. / Copeland, W.C.

History

Deposition	Nov 16, 2022	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 9, 2023	Provider: repository / Type: Initial release
Revision 1.1	Aug 30, 2023	Group: Data collection / Database references Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / citation_author Item: _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed ..._citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID
Revision 1.2	Oct 25, 2023	Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8f6b.cif.gz	1.2 MB	Display	PDBx/mmCIF format
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Validation report

Summary document	8f6b_validation.pdf.gz	550.1 KB	Display	wwPDB validaton report
Full document	8f6b_full_validation.pdf.gz	567.9 KB	Display
Data in XML	8f6b_validation.xml.gz	81.9 KB	Display
Data in CIF	8f6b_validation.cif.gz	109.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/f6/8f6b ftp://data.pdbj.org/pub/pdb/validation_reports/f6/8f6b	HTTPS FTP

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Related structure data

Related structure data	8f69C 1g5iS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	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 (1) #91 - Jul 2007 Thymine Dimers similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1) #253 - Jan 2021 Expressome similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (1) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #227 - Nov 2018 Telomerase similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #135 - Mar 2011 Integrase similarity (1) #150 - Jun 2012 Sliding Clamps similarity (1) #84 - Dec 2006 Transposase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #23 - Nov 2001 DNA similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #131 - Nov 2010 Inteins similarity (1) #125 - May 2010 Parvoviruses similarity (1) #119 - Nov 2009 Designed DNA Crystal similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (4)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#67 - Jul 2005
TATA-Binding Protein
similarity (1)
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DNA Helicase
similarity (1)
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Thymine Dimers
similarity (1)
#255 - Mar 2021
Cisplatin and DNA
similarity (1)
#253 - Jan 2021
Expressome
similarity (1)
#122 - Feb 2010
Enhanceosome
similarity (1)
#181 - Jan 2015
Cascade and CRISPR
similarity (1)
#172 - Apr 2014
RecA and Rad51
similarity (1)
#48 - Dec 2003
Catabolite Activator Protein
similarity (1)
#112 - Apr 2009
Oct and Sox Transcription Factors
similarity (1)
#227 - Nov 2018
Telomerase
similarity (1)
#180 - Dec 2014
TAL Effectors
similarity (1)
#135 - Mar 2011
Integrase
similarity (1)
#150 - Jun 2012
Sliding Clamps
similarity (1)
#84 - Dec 2006
Transposase
similarity (1)
#155 - Nov 2012
Vitamin D Receptor
similarity (1)
#73 - Jan 2006
Topoisomerase
similarity (1)
#139 - Jul 2011
DNA Methyltransferase
similarity (1)
#87 - Mar 2007
Zinc Fingers
similarity (1)
#3 - Mar 2000
DNA Polymerase
similarity (1)
#40 - Apr 2003
RNA Polymerase
similarity (1)
#8 - Aug 2000
Restriction Enzymes
similarity (1)
#39 - Mar 2003
lac Repressor
similarity (1)
#7 - Jul 2000
Nucleosome
similarity (1)
#55 - Jul 2004
DNA Ligase
similarity (1)
#45 - Sep 2003
Estrogen Receptor
similarity (1)
#92 - Aug 2007
Anabolic Steroids
similarity (1)
#33 - Sep 2002
HIV Reverse Transcriptase
similarity (1)
#31 - Jul 2002
p53 Tumor Suppressor
similarity (1)
#258 - Jun 2021
Glucocorticoid Receptor and Dexamethasone
similarity (1)
#257 - May 2021
Fetal Hemoglobin
similarity (1)
#240 - Dec 2019
Hypoxia-Inducible Factors
similarity (1)
#23 - Nov 2001
DNA
similarity (1)
#190 - Oct 2015
Two-component Systems
similarity (1)
#160 - Apr 2013
Actinomycin
similarity (1)
#131 - Nov 2010
Inteins
similarity (1)
#125 - May 2010
Parvoviruses
similarity (1)
#119 - Nov 2009
Designed DNA Crystal
similarity (1)
#241 - Jan 2020
Twenty Years of Molecules
similarity (1)
#16 - Apr 2001
Aminoacyl-tRNA Synthetases
similarity (4)

Deposited unit

A: PolG2

B: PolG2

C: PolG2

D: PolG2

E: PolG2

F: PolG2

G: DNA (5'-D(*CP*TP*GP*GP*TP*AP*GP*GP*CP*GP*CP*CP*TP*AP*CP*CP*AP*G)-3')

H: DNA (5'-D(*CP*TP*GP*GP*TP*AP*GP*GP*CP*GP*CP*CP*TP*AP*CP*CP*AP*G)-3')

I: DNA (5'-D(*CP*TP*GP*GP*TP*AP*GP*GP*CP*GP*CP*CP*TP*AP*CP*CP*AP*G)-3')

J: DNA (5'-D(*CP*TP*GP*GP*TP*AP*GP*GP*CP*GP*CP*CP*TP*AP*CP*CP*AP*G)-3')

hetero molecules

332 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: PolG2

B: PolG2

C: PolG2

D: PolG2

E: PolG2

F: PolG2

I: DNA (5'-D(*CP*TP*GP*GP*TP*AP*GP*GP*CP*GP*CP*CP*TP*AP*CP*CP*AP*G)-3')

J: DNA (5'-D(*CP*TP*GP*GP*TP*AP*GP*GP*CP*GP*CP*CP*TP*AP*CP*CP*AP*G)-3')

hetero molecules

G: DNA (5'-D(*CP*TP*GP*GP*TP*AP*GP*GP*CP*GP*CP*CP*TP*AP*CP*CP*AP*G)-3')

H: DNA (5'-D(*CP*TP*GP*GP*TP*AP*GP*GP*CP*GP*CP*CP*TP*AP*CP*CP*AP*G)-3')

hetero molecules

defined by author&software
Evidence: light scattering
332 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	116.224, 116.224, 250.938
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	145
Space group name H-M	P3₂
Space group name Hall	P3₂
Symmetry operation	#1: x,y,z #2: -y,x-y,z+2/3 #3: -x+y,-x,z+1/3

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Protein / DNA chain , 2 types, 10 molecules ABCDEFGHIJ

#1: Protein	PolG2 Mass: 51200.137 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Production host: Escherichia coli (E. coli) / References: UniProt: Q0VES3
#2: DNA chain	DNA (5'-D(CPTPGPGPTPAPGPGPCPGPCPCPTPAPCPCPAPG)-3') Mass: 5517.567 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)

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Non-polymers , 5 types, 119 molecules

#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Chemical	... ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 32 / Source method: obtained synthetically / Formula: C₂H₆O₂
#5: Chemical	ChemComp-MPD / (4S)-2-METHYL-2,4-PENTANEDIOL Mass: 118.174 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₆H₁₄O₂ / Comment: precipitant*YM
#6: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Na
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 81 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.97 Å³/Da / Density % sol: 58.61 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5 / Details: 10% MPD 0.1 M MES 2:1 protein to DNA ratio

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Data collection

Diffraction	Mean temperature: 105 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: RAYONIX MX300-HS / Detector: CCD / Date: Oct 19, 2017
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.75→38.04 Å / Num. obs: 98810 / % possible obs: 99.81 % / Redundancy: 2.9 % / B_iso Wilson estimate: 82.18 Å² / R_rim(I) all: 0.096 / Net I/σ(I): 18.96
Reflection shell	Resolution: 2.75→2.85 Å / Mean I/σ(I) obs: 1.08 / Num. unique obs: 9883 / R_rim(I) all: 1.075 / % possible all: 99.81

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Processing

Software

Name	Version	Classification
PHENIX	1.19.2_4158	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing
Coot		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1G5I

1g5i

Resolution: 2.75→38.04 Å / SU ML: 0.3901 / Cross valid method: FREE R-VALUE / σ(F): 1.98 / Phase error: 27.1419
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2215	1976	2 %
R_work	0.1961	96735	-
obs	0.1966	98711	99.85 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 96.99 Å²

Refinement step

Cycle: LAST / Resolution: 2.75→38.04 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	18926	1464	158	81	20629

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0018	21173
X-RAY DIFFRACTION	f_angle_d	0.4259	29024
X-RAY DIFFRACTION	f_chiral_restr	0.036	3309
X-RAY DIFFRACTION	f_plane_restr	0.0032	3424
X-RAY DIFFRACTION	f_dihedral_angle_d	16.1712	7671

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.75-2.82	0.3712	144	0.3087	6909	X-RAY DIFFRACTION	99.51
2.82-2.89	0.313	142	0.2782	6909	X-RAY DIFFRACTION	99.99
2.89-2.98	0.3193	136	0.245	6954	X-RAY DIFFRACTION	100
2.98-3.07	0.2757	136	0.257	6953	X-RAY DIFFRACTION	100
3.07-3.18	0.3298	144	0.2721	6870	X-RAY DIFFRACTION	100
3.18-3.31	0.2385	146	0.2121	6921	X-RAY DIFFRACTION	100
3.31-3.46	0.193	136	0.1802	6926	X-RAY DIFFRACTION	99.99
3.46-3.64	0.1941	144	0.2204	6929	X-RAY DIFFRACTION	100
3.64-3.87	0.2357	142	0.2133	6923	X-RAY DIFFRACTION	99.96
3.87-4.17	0.2217	150	0.1781	6880	X-RAY DIFFRACTION	99.96
4.17-4.59	0.191	136	0.1689	6879	X-RAY DIFFRACTION	99.79
4.59-5.25	0.2061	141	0.1749	6913	X-RAY DIFFRACTION	99.72
5.25-6.61	0.2133	144	0.2136	6912	X-RAY DIFFRACTION	100
6.61-38.04	0.2045	135	0.1682	6857	X-RAY DIFFRACTION	99.06

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	3.38678547758	-0.395618638294	-0.177974812468	2.03850109196	0.0814168613184	2.90068477901	-0.338868703758	-0.0926908026912	0.124212764327	0.0477609455448	0.134609362604	-1.22205748637	0.0372426699449	0.740285144818	0.188200418515	0.633797209105	-0.0915303381442	-0.0281027418989	0.626319634323	-0.149671712874	1.30516372926	-23.0261046512	5.0790067629	-36.2765167358
2	1.91854057835	-0.246370700683	-0.323219696692	2.10029930067	-0.990201051602	3.75772255717	0.062713361158	0.143196577991	0.252971825372	-0.37252047163	0.152494468004	-0.947366851636	-0.365669371502	0.802222184921	-0.191870139128	0.657511960956	-0.177699034513	0.191333375124	0.650754555597	-0.186072328691	1.01913558591	-30.5083614583	15.907385678	-49.6368442844
3	4.2990958166	2.06358078847	-2.83010577157	2.39521264428	-1.35682634906	2.52636772019	0.0104993294257	-0.161490027083	0.0589415658193	0.475530603579	0.125653419803	-0.243025154319	-0.113975418229	0.00666847112961	-0.128486825534	0.697143380737	0.089648218544	-0.16033199577	0.416715317599	-0.0972855145163	0.538916012054	-51.7353898276	5.15550846829	-22.6369804589
4	1.54383105843	0.416513133511	0.30723208066	2.14336226624	-0.517099594432	2.27903841962	0.00950944436306	-0.138365587424	-0.101767927864	0.18588404777	0.0610041518973	-0.969278239794	0.1087817968	0.676741683458	-0.0916377173917	0.597114667698	0.129292654551	-0.0811897149083	0.683195827071	-0.215570021348	1.07358871018	-27.2710464531	-11.3509855779	-35.0661707586
5	3.84267813578	-1.95653846754	2.72143483011	2.73865381255	-1.0714325893	2.64646086542	0.121422718484	0.222252212391	-0.0952660339789	-0.641094942049	0.091705147992	-0.249850871488	0.164045796271	0.0925088316226	-0.218650514385	0.679975347782	-0.10473903582	0.157443468807	0.43348389707	-0.0775761939109	0.521267647673	-51.915583178	-5.64457897682	-57.4185541277
6	9.88783801012	-3.92545263312	1.45159980917	3.08140630053	1.40777558761	3.65493413626	-0.48464315729	-1.08513417546	-0.865660179149	2.31296678442	0.228182130889	0.746420230689	0.339771437683	-0.268692949656	0.324714944853	1.7339879564	-0.239887292441	0.0316351557554	0.776702481215	0.110703147711	0.716202205591	-76.8623522704	-45.6621683405	-13.3403402805
7	2.22852309457	-1.89617565817	0.243458344044	3.02713103104	-0.180212930717	2.6416664387	-0.0876638911183	0.00766609427148	-0.543636180576	0.38479955304	-0.0150012468889	0.52884052333	0.302778050673	-0.398083851987	0.105229999115	0.968130748809	-0.310614789627	0.00052370098496	0.585159440851	0.00360955296232	0.720353958696	-84.5370307805	-41.7909018649	-34.7617209078
8	2.68424632392	-0.928894761247	-3.55386718777	0.747423914171	0.706513869355	5.51926808324	-0.202783876436	0.14985931971	1.29490437045	0.0857945264914	-0.259377494947	1.3925074015	-0.934931172541	-1.34082337465	0.742529166533	1.09787880835	0.0107155132128	0.0327236194546	1.28795659955	-0.363824627634	2.64097997495	-114.364207521	-29.4834288642	-29.4447654973
9	2.43826028265	-0.361671930686	1.54878723615	2.54805147513	-0.12335658308	3.92415839342	0.0438639985939	0.0641254731644	-0.468389205195	0.352568623035	0.0523956733337	0.191175530026	1.00406764619	-0.641796979777	-0.0904982828031	1.1321456017	-0.393479439688	-0.00489201863789	0.682184060569	-0.063814943471	0.716319443105	-83.9392671138	-51.1678354658	-41.0839877214
10	9.77353436062	-2.70740747046	1.91047537175	6.89794079489	2.12797056353	6.68757673186	0.261861721338	-0.205429722435	0.805103899092	-1.26984958437	0.235147743394	0.543372915639	-0.0885045545915	-1.08670285608	-0.27241969669	1.02795914988	-0.482384114936	-0.139365458933	1.22655358426	-0.0789536162699	0.857088848109	-93.3830342287	-47.8404779948	-59.2568385046
11	5.81651392679	2.49654600372	2.00668109739	2.500547109	1.15144333398	1.64052478581	0.138134871318	-0.0503634269632	-0.580025087381	0.712721635201	0.0441594155811	-0.555006105708	0.79851947543	0.183050627991	-0.159064617203	1.11931976956	0.112059133287	-0.144912796587	0.450604114557	-0.0167242853594	0.640731646101	-58.0014371468	-39.8966107425	-22.9781621046
12	3.31694420216	1.18606512272	-0.0728897664931	3.12193289472	0.495633939089	2.40628195079	-0.187712776225	-0.237857812317	-0.0275803225762	0.233237612298	-0.0438029077067	0.684161948161	0.0901098502142	-0.802025317987	0.251028195331	0.71783446602	-0.0851174225737	0.0661382319227	0.707743430228	-0.0285608123782	0.688125660612	-91.8951938501	-30.0311964416	-34.4929043293
13	2.26788878307	0.735910378192	0.629888930335	3.2442464555	1.29145558081	6.5573775848	-0.0475951755101	-0.366860678654	-0.0084877604473	0.307504109958	0.0279166236696	0.163464633744	-0.183981590226	-0.628708354601	0.016408902945	0.609808977024	0.0162930698014	0.0446495887396	0.457498240491	-0.00892595007144	0.475692902	-80.2904439463	-19.2560507451	-26.1593416025
14	4.75523514066	-0.0576670689209	-0.551220491698	2.28841796758	-0.699731742997	3.70159832409	-0.158304256569	0.304388472735	-0.152239886726	-0.622438388577	0.208150887591	-0.291770397547	0.12360620474	0.0760740921606	-0.0340584207548	0.872069538575	-0.258503680648	0.107144116384	0.579616338294	-0.14327098403	0.600516769056	-64.9931074184	-30.0607934241	-59.7445615266
15	3.06950828642	2.09584997173	-0.759293573274	1.98760808456	0.540654344994	3.89814206378	-0.952186131255	1.07584784343	0.0429314139425	-2.44151030102	0.506669516659	0.210191519165	-0.303875103646	-0.368959455967	0.394865588044	1.83359391346	0.190467115895	-0.0246830118286	0.796956232953	0.106616656281	0.809404711798	-76.8329320132	45.6887408839	-66.1882905205
16	3.43454980235	1.80444409775	0.228745292056	2.26894085367	-0.0939633881553	2.31667880487	-0.139977747238	-0.150512531272	0.448639974501	-0.474123026052	-0.0661801518121	0.396131210287	-0.339036545031	-0.475448012504	0.221505208161	0.951542807092	0.323240447771	-0.0228514546707	0.565208953631	0.0327847638071	0.637160690746	-84.5526793023	41.7615209908	-44.7130649347
17	6.34230763066	0.760862829543	-0.0114632244903	3.9066596051	0.43362992495	3.10477660004	-0.258346903477	0.0658983994755	-0.479392736921	0.118398939079	-0.0677830666287	1.45920716523	0.556786483224	-1.77520707825	0.41570116843	0.890852806861	-0.0270177353423	-0.0508721505326	1.47946183579	-0.111852729773	2.08382442355	-114.587835936	29.1599376134	-50.3776201825
18	2.07588336237	0.698235190578	-1.18941832685	3.76714079605	-0.155101408819	3.69164043122	0.000476005654424	-0.0473172226627	0.394401293318	-0.360258376778	0.149675740654	0.129120241323	-0.908171490439	-0.685914123946	-0.158818053544	1.12353315409	0.40938359882	0.00963710473186	0.691232927464	-0.0199987496142	0.695165484567	-83.8240410389	51.0487882211	-38.3565028924
19	6.66734637454	2.6633394613	-2.56357907643	7.5062732067	4.15156591616	9.11447111982	-0.362747026881	-0.18099278829	-0.933152050828	1.18936504949	0.876391683278	0.387222634813	-0.0595835511753	-0.882272821075	-0.386588330151	1.0108977614	0.494315085022	0.130192831838	1.28446806274	-0.0563611255989	0.89767362767	-93.3882370452	47.8551701183	-20.2309644526
20	5.86194799874	-2.23827020806	-2.15278752975	2.07434140241	0.815267627198	2.03318318392	0.279698905178	0.149727608114	0.543142102547	-0.722173785593	-0.0424014043141	-0.478971483064	-0.753791054703	0.0890949956187	-0.243391436634	1.06247306846	-0.0963631364291	0.161183199201	0.44360432663	-0.00897498500289	0.632696136897	-57.8895109119	39.7960246013	-56.8066679296
21	3.83263861966	-0.48587737828	0.587906847398	2.69051788717	0.0984533934576	2.22802856047	-0.288444953659	0.178260362716	0.01743214791	-0.152579965158	0.000791610323561	0.680320657177	-0.147748224373	-0.776411017035	0.239199016352	0.709924305021	0.119363183763	-0.037640559411	0.673291418676	-0.0639751264756	0.67441231305	-91.9004176869	29.8669554995	-45.0114551551
22	2.13005622742	-0.666335854863	-0.448428052445	3.20561857142	1.19719419918	6.35700564547	-0.0410512548241	0.300821277949	-0.0125540186815	-0.309398367272	0.0428556169896	0.210383439213	0.103590564393	-0.728688301804	-0.0108997264969	0.625690120316	0.00658291693641	-0.0622802650876	0.465202473354	0.0282633149248	0.491997125462	-80.4970257341	19.2628235089	-53.1770997454
23	5.6239739188	-0.235538039097	0.651139868588	3.19806438565	-0.667710944448	3.27296301781	-0.149517946019	-0.372279748461	0.143906289092	0.52835700016	0.212016329084	-0.365344261442	-0.105321165403	0.0737879190035	-0.0748332591589	0.887293092799	0.264447240174	-0.0981834315872	0.598258211718	-0.12875003103	0.576973016121	-64.9411117535	29.9232639852	-19.7124539308
24	9.1450939648	-4.50597280237	4.93289280406	5.38447807363	-5.16160510798	5.24781571213	-0.610418493072	-0.542158231884	0.389769033181	0.54404811507	0.467679958801	-0.251390203128	0.261812283069	-0.485217351786	0.227542984176	1.40331317049	0.351980924348	-0.145066000067	0.821222364738	-0.172172911186	0.672589520658	-64.9307706293	25.9206689676	3.87795702581
25	6.10694192283	-7.04120183092	7.66946069925	8.9974989399	-8.65907166024	9.57857125374	-1.38818687809	-0.496366486616	1.50429281428	1.3132179809	0.679111720334	-1.02174481199	-0.636810005361	0.0151307201169	0.602153665915	1.18797029091	0.564266770331	-0.128858492095	1.21169476609	-0.250335637886	0.908794348427	-82.98258257	50.8965351828	-0.00329493696245
26	7.69435928426	0.762466497943	-3.77990239007	9.49554766874	3.93666519406	4.91478774972	-0.153292634626	0.635380570242	-0.253923901811	1.96337866764	0.751202207105	-3.03506770139	0.638554619201	0.864134888336	-0.546886799857	1.32837319689	0.731634453355	-0.0315993885231	1.39961706972	-0.0443578016657	1.03137893427	-89.7604431966	49.9917288574	3.13142140827
27	1.8367458515	-2.82711411642	1.00039817532	8.996244642	-6.70583318491	7.34257970438	0.292526204624	0.383826169474	-0.209353845493	-0.142154007814	-1.02370549568	-0.569297446786	-0.253953841461	-0.023995143908	0.633729632787	1.38410469128	0.418439590699	-0.323132900966	1.04262558714	-0.315001724625	0.860282110472	-68.5728553827	31.3882489516	1.35903784145
28	3.90970535123	4.5365191103	-2.07103026728	7.84908257034	-1.93059476282	3.55361387254	0.304637510082	0.10138225213	-0.32042320941	0.275195461616	-0.36110299113	-1.40008015511	-0.802640882812	-0.171908731676	0.0367797013189	1.68464176396	0.477826004267	-0.255340479935	0.872212681227	-0.0680982394877	0.741278328384	-57.7552174481	-7.13036620801	3.90692632177
29	3.86799122358	-4.030608231	3.14307836755	4.50474801194	-4.07435628504	4.00479782522	-0.655492940615	-0.594283452273	-0.284504887691	0.870304546616	-0.118458444016	-0.259593161875	0.890543628736	0.0311828208342	1.00425333745	1.40968016452	0.391368562885	-0.234602807138	0.937492279939	-0.0823354365691	0.934879623979	-45.9251564632	-32.1038520613	0.242995371637
30	3.66574841803	2.68997266938	0.194012446108	9.5437031761	3.2380594878	7.59181247162	-0.0881501479231	0.0670678220599	-0.0478654447696	-1.02757450549	-0.145733774428	0.34847694677	-0.413265017885	0.0596255612057	0.231544171932	1.2087086514	0.366189931519	-0.182370393962	0.850323071798	0.00231800056551	0.726267498664	-48.1243536759	-31.4463596672	0.342880639438
31	3.68130693415	1.36461552589	-0.612870336914	6.41602242982	0.124694644608	9.42341097045	0.681517862256	0.149087925001	0.172532063412	-1.07354517222	-1.07686781627	1.17910382767	-0.878653241918	-0.821364211433	0.295365118798	1.34041709287	0.332213623238	-0.243900374154	0.721201024919	2.83021096364E-5	0.856956851595	-60.7863345475	-3.35735882923	4.15928327078

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 38 through 151 )	A	A	38 - 151	1 - 114
2	2	chain 'A' and (resid 152 through 307 )	A	A	152 - 307	115 - 260
3	3	chain 'A' and (resid 308 through 463 )	A	A	308 - 463	261 - 408
4	4	chain 'B' and (resid 41 through 307 )	B	B	41 - 307	1 - 258
5	5	chain 'B' and (resid 308 through 463 )	B	B	308 - 463	259 - 411
6	6	chain 'C' and (resid 38 through 61 )	C	C	38 - 61	1 - 24
7	7	chain 'C' and (resid 62 through 123 )	C	C	62 - 123	25 - 86
8	8	chain 'C' and (resid 124 through 151 )	C	C	124 - 151	87 - 114
9	9	chain 'C' and (resid 152 through 281 )	C	C	152 - 281	115 - 234
10	10	chain 'C' and (resid 282 through 307 )	C	C	282 - 307	235 - 260
11	11	chain 'C' and (resid 308 through 463 )	C	C	308 - 463	261 - 404
12	12	chain 'D' and (resid 41 through 151 )	D	D	41 - 151	1 - 111
13	13	chain 'D' and (resid 152 through 331 )	D	D	152 - 331	112 - 282
14	14	chain 'D' and (resid 332 through 463 )	D	D	332 - 463	283 - 414
15	15	chain 'E' and (resid 38 through 61 )	E	E	38 - 61	1 - 24
16	16	chain 'E' and (resid 62 through 123 )	E	E	62 - 123	25 - 86
17	17	chain 'E' and (resid 124 through 151 )	E	E	124 - 151	87 - 114
18	18	chain 'E' and (resid 152 through 281 )	E	E	152 - 281	115 - 234
19	19	chain 'E' and (resid 282 through 307 )	E	E	282 - 307	235 - 260
20	20	chain 'E' and (resid 308 through 461 )	E	E	308 - 461	261 - 401
21	21	chain 'F' and (resid 41 through 151 )	F	F	41 - 151	1 - 111
22	22	chain 'F' and (resid 152 through 331 )	F	F	152 - 331	112 - 283
23	23	chain 'F' and (resid 332 through 464 )	F	F	332 - 464	284 - 416
24	24	chain 'G' and (resid 1 through 10 )	G	H	1 - 10
25	25	chain 'G' and (resid 11 through 18 )	G	H	11 - 18
26	26	chain 'H' and (resid 1 through 5 )	H	I	1 - 5
27	27	chain 'H' and (resid 6 through 18 )	H	I	6 - 18
28	28	chain 'I' and (resid 1 through 10 )	I	J	1 - 10
29	29	chain 'I' and (resid 11 through 18 )	I	J	11 - 18
30	30	chain 'J' and (resid 1 through 10 )	J	K	1 - 10
31	31	chain 'J' and (resid 11 through 18 )	J	K	11 - 18

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