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- PDB-7m0e: Pre-catalytic synaptic complex of DNA Polymerase Lambda with gapp... -

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Basic information

Entry
Database: PDB / ID: 7m0e
TitlePre-catalytic synaptic complex of DNA Polymerase Lambda with gapped DSB substrate and incoming dUMPNPP
Components
  • DNA (5'-D(*CP*AP*GP*TP*GP*C)-3')
  • DNA (5'-D(*CP*GP*GP*CP*AP*GP*C)-3')
  • DNA (5'-D(P*GP*CP*CP*G)-3')
  • DNA polymerase lambda
KeywordsTRANSFERASE / Nonhomologous end-joining / Base Excision Repair
Function / homology
Function and homology information


DNA biosynthetic process / Lyases; Carbon-oxygen lyases; Other carbon-oxygen lyases / 5'-deoxyribose-5-phosphate lyase activity / somatic hypermutation of immunoglobulin genes / base-excision repair, gap-filling / nucleotide-excision repair / Nonhomologous End-Joining (NHEJ) / double-strand break repair via homologous recombination / double-strand break repair via nonhomologous end joining / site of double-strand break ...DNA biosynthetic process / Lyases; Carbon-oxygen lyases; Other carbon-oxygen lyases / 5'-deoxyribose-5-phosphate lyase activity / somatic hypermutation of immunoglobulin genes / base-excision repair, gap-filling / nucleotide-excision repair / Nonhomologous End-Joining (NHEJ) / double-strand break repair via homologous recombination / double-strand break repair via nonhomologous end joining / site of double-strand break / DNA-directed DNA polymerase / DNA-directed DNA polymerase activity / DNA replication / DNA binding / nucleoplasm / metal ion binding / nucleus
Similarity search - Function
Beta Polymerase; domain 3 / DNA polymerase, thumb domain / DNA polymerase family X, beta-like / DNA polymerase beta, N-terminal domain-like / DNA polymerase beta, palm domain / DNA polymerase beta palm / DNA polymerase lambda, fingers domain / Fingers domain of DNA polymerase lambda / DNA-directed DNA polymerase X / DNA polymerase beta-like, N-terminal domain ...Beta Polymerase; domain 3 / DNA polymerase, thumb domain / DNA polymerase family X, beta-like / DNA polymerase beta, N-terminal domain-like / DNA polymerase beta, palm domain / DNA polymerase beta palm / DNA polymerase lambda, fingers domain / Fingers domain of DNA polymerase lambda / DNA-directed DNA polymerase X / DNA polymerase beta-like, N-terminal domain / Helix-hairpin-helix domain / DNA polymerase X family / DNA polymerase family X, binding site / DNA polymerase family X signature. / DNA polymerase lambda lyase domain superfamily / DNA polymerase family X / DNA polymerase beta, thumb domain / DNA polymerase, thumb domain superfamily / DNA polymerase beta thumb / Beta Polymerase, domain 2 / Beta Polymerase; domain 2 / BRCT domain profile. / BRCT domain / BRCT domain superfamily / Nucleotidyltransferase superfamily / 5' to 3' exonuclease, C-terminal subdomain / DNA polymerase; domain 1 / 2-Layer Sandwich / Orthogonal Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE / DNA / DNA polymerase lambda
Similarity search - Component
Biological speciesHomo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.25 Å
AuthorsKaminski, A.M. / Bebenek, K. / Pedersen, L.C. / Kunkel, T.A.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of Environmental Health Sciences (NIH/NIEHS)1ZIA ES102645 United States
National Institutes of Health/National Institute of Environmental Health Sciences (NIH/NIEHS)Z01 ES065070 United States
CitationJournal: Nat Commun / Year: 2022
Title: Analysis of diverse double-strand break synapsis with Pol lambda reveals basis for unique substrate specificity in nonhomologous end-joining.
Authors: Kaminski, A.M. / Chiruvella, K.K. / Ramsden, D.A. / Bebenek, K. / Kunkel, T.A. / Pedersen, L.C.
History
DepositionMar 10, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 16, 2022Provider: repository / Type: Initial release
Revision 1.1Feb 15, 2023Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Oct 25, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: DNA polymerase lambda
G: DNA (5'-D(*CP*GP*GP*CP*AP*GP*C)-3')
F: DNA (5'-D(*CP*AP*GP*TP*GP*C)-3')
H: DNA (5'-D(P*GP*CP*CP*G)-3')
B: DNA polymerase lambda
K: DNA (5'-D(*CP*GP*GP*CP*AP*GP*C)-3')
J: DNA (5'-D(*CP*AP*GP*TP*GP*C)-3')
L: DNA (5'-D(P*GP*CP*CP*G)-3')
C: DNA polymerase lambda
O: DNA (5'-D(*CP*GP*GP*CP*AP*GP*C)-3')
N: DNA (5'-D(*CP*AP*GP*TP*GP*C)-3')
P: DNA (5'-D(P*GP*CP*CP*G)-3')
D: DNA polymerase lambda
T: DNA (5'-D(*CP*GP*GP*CP*AP*GP*C)-3')
R: DNA (5'-D(*CP*AP*GP*TP*GP*C)-3')
U: DNA (5'-D(P*GP*CP*CP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)177,79734
Polymers175,37416
Non-polymers2,42318
Water6,377354
1
A: DNA polymerase lambda
G: DNA (5'-D(*CP*GP*GP*CP*AP*GP*C)-3')
F: DNA (5'-D(*CP*AP*GP*TP*GP*C)-3')
H: DNA (5'-D(P*GP*CP*CP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,54010
Polymers43,8444
Non-polymers6976
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: DNA polymerase lambda
K: DNA (5'-D(*CP*GP*GP*CP*AP*GP*C)-3')
J: DNA (5'-D(*CP*AP*GP*TP*GP*C)-3')
L: DNA (5'-D(P*GP*CP*CP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,3587
Polymers43,8444
Non-polymers5143
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: DNA polymerase lambda
O: DNA (5'-D(*CP*GP*GP*CP*AP*GP*C)-3')
N: DNA (5'-D(*CP*AP*GP*TP*GP*C)-3')
P: DNA (5'-D(P*GP*CP*CP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,54010
Polymers43,8444
Non-polymers6976
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: DNA polymerase lambda
T: DNA (5'-D(*CP*GP*GP*CP*AP*GP*C)-3')
R: DNA (5'-D(*CP*AP*GP*TP*GP*C)-3')
U: DNA (5'-D(P*GP*CP*CP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,3587
Polymers43,8444
Non-polymers5143
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)64.966, 85.819, 91.421
Angle α, β, γ (deg.)105.224, 92.576, 111.296
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z

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Components

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Protein , 1 types, 4 molecules ABCD

#1: Protein
DNA polymerase lambda / Pol Lambda / DNA polymerase beta-2 / Pol beta2 / DNA polymerase kappa


Mass: 38719.156 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: POLL / Plasmid: pGEXM / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta2 (DE3)
References: UniProt: Q9UGP5, DNA-directed DNA polymerase, Lyases; Carbon-oxygen lyases; Other carbon-oxygen lyases

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DNA chain , 3 types, 12 molecules GKOTFJNRHLPU

#2: DNA chain
DNA (5'-D(*CP*GP*GP*CP*AP*GP*C)-3')


Mass: 2123.412 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: DNA chain
DNA (5'-D(*CP*AP*GP*TP*GP*C)-3')


Mass: 1809.217 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#4: DNA chain
DNA (5'-D(P*GP*CP*CP*G)-3')


Mass: 1191.818 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Non-polymers , 6 types, 372 molecules

#5: Chemical
ChemComp-DUP / 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE


Mass: 467.157 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C9H16N3O13P3 / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mg
#7: Chemical
ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Na
#8: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C2H6O2
#9: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO4
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 354 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.58 Å3/Da / Density % sol: 52.38 %
Crystal growTemperature: 277 K / Method: vapor diffusion, sitting drop / Details: 0.138M sodium sulfate, 20% (w/v) PEG 3350

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Data collection

DiffractionMean temperature: 93 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 25, 2020
RadiationMonochromator: DOUBLE CRYSTAL SI(III) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.25→50 Å / Num. obs: 75755 / % possible obs: 91.9 % / Redundancy: 3.8 % / Biso Wilson estimate: 37.92 Å2 / CC1/2: 0.986 / CC star: 0.997 / Rsym value: 0.092 / Χ2: 0.9 / Net I/σ(I): 17.38
Reflection shellResolution: 2.25→2.29 Å / Redundancy: 3.7 % / Mean I/σ(I) obs: 1.73 / Num. unique obs: 3835 / CC1/2: 0.567 / CC star: 0.851 / Rsym value: 0.848 / Χ2: 0.417 / % possible all: 93.6

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Processing

Software
NameVersionClassification
PHENIX1.19.1_4122refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2PFO

2pfo


Resolution: 2.25→38.16 Å / SU ML: 0.2804 / Cross valid method: FREE R-VALUE / σ(F): 1.97 / Phase error: 23.5635
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflectionSelection details
Rfree0.2221 3809 5.03 %random
Rwork0.1835 71919 --
obs0.1854 75728 91.55 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 48.64 Å2
Refinement stepCycle: LAST / Resolution: 2.25→38.16 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9876 1376 140 354 11746
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.004711779
X-RAY DIFFRACTIONf_angle_d0.681416245
X-RAY DIFFRACTIONf_chiral_restr0.04071798
X-RAY DIFFRACTIONf_plane_restr0.00561847
X-RAY DIFFRACTIONf_dihedral_angle_d13.86723643
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.25-2.280.29741300.2352417X-RAY DIFFRACTION82.75
2.28-2.310.29361390.23372730X-RAY DIFFRACTION93.61
2.31-2.340.27911490.23092717X-RAY DIFFRACTION93.45
2.34-2.380.29671300.23872683X-RAY DIFFRACTION92.96
2.38-2.410.33071550.22962709X-RAY DIFFRACTION92.84
2.41-2.450.25881370.22182706X-RAY DIFFRACTION93.24
2.45-2.490.27751510.21852700X-RAY DIFFRACTION92.24
2.49-2.530.26131330.20912642X-RAY DIFFRACTION91.86
2.53-2.580.24441370.2072694X-RAY DIFFRACTION91.62
2.58-2.630.29091320.20832642X-RAY DIFFRACTION90.83
2.63-2.680.25661370.20622620X-RAY DIFFRACTION89.43
2.68-2.740.25121260.21332504X-RAY DIFFRACTION87.03
2.74-2.810.24841340.21092426X-RAY DIFFRACTION82.96
2.81-2.880.25431210.22172223X-RAY DIFFRACTION75.56
2.88-2.950.24991390.21892641X-RAY DIFFRACTION90.7
2.95-3.040.24971590.20872789X-RAY DIFFRACTION96.75
3.04-3.140.29961520.2022781X-RAY DIFFRACTION96.61
3.14-3.250.22111370.20172845X-RAY DIFFRACTION96.38
3.25-3.380.24581440.18982794X-RAY DIFFRACTION96.33
3.38-3.530.26541480.1782779X-RAY DIFFRACTION95.87
3.53-3.720.19951590.17892763X-RAY DIFFRACTION95.21
3.72-3.950.19861420.15332763X-RAY DIFFRACTION94.66
3.95-4.260.16071520.14362724X-RAY DIFFRACTION94.05
4.26-4.690.18621400.14432668X-RAY DIFFRACTION91.85
4.69-5.360.1811290.15872468X-RAY DIFFRACTION83.99
5.36-6.750.21871400.18672618X-RAY DIFFRACTION90.63
6.75-38.160.16941570.16182873X-RAY DIFFRACTION98.79
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°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)
10.9992960830270.3649490495880.1411407692332.949466697850.1931807433931.10907846372-0.119580295596-0.0959229883218-0.1250106239190.264994163840.08794716897570.06184206022920.220742939057-0.105547923252-2.45139015331E-60.4973642391650.03068830340060.05776656090390.390502275377-0.01656258840310.3631305500133.97309889309-29.6199318922-23.4546298306
21.42319913196-0.6192171117730.4445563789081.89191787409-0.04417428770161.144376847310.00589442189687-0.238206636012-0.05760284900620.1230253703890.0143091825018-0.2271520513190.05577747877950.2801460237-1.39016894898E-70.2600392925110.0180979788202-0.06577715142260.3639699384440.02305674901660.35715736964118.8162456128-8.38427999607-11.8048813964
32.731513948920.0520030178570.2304865281821.527544564180.4311794765521.97386528717-0.0883194803185-0.1288810188850.1819226460730.1648450740570.03946726288290.0529460045173-0.147852987803-0.01106504426061.83501300858E-70.2430851432040.0365321330011-0.007127007996060.289292608168-0.01867761133540.301485924647-3.681740459924.68165715757-14.7528264469
41.30058087696-0.294849927493-0.1274646916651.73325318320.6337700252390.8556121394330.1667978731580.40974680299-0.197251931515-0.273145741614-0.2005655965850.3056700937330.149055868398-0.200741025433-0.001065936232740.2073073238390.0397269091335-0.0413749366560.398285191402-0.04908734121550.338085620579-8.25924693894-7.45305439306-32.7545356015
50.1925647031510.1480753013790.1309289274720.079251389030.07259313344250.189245179122-0.269781955835-0.0760764048335-0.104169262657-0.09035605030660.03088691952290.0421560215330.003763849238760.216742609125-2.09368089388E-50.170328737805-0.0191441823785-0.03472763068880.2569100371430.01005071106040.31507324019413.8984454156-2.61812566639-25.2456735393
60.8988467283010.264103888947-0.3213531675310.4323915942730.1285660369120.4085811867480.07603833616250.2177507424760.0315347807445-0.7694911247370.123082330162-0.6171047204860.41336620124-0.05821084803840.0005599590402380.517099581848-0.02116052733620.0439614836830.398624729963-0.0545764870840.3595037119617.1381646774-18.5571838136-36.7858101875
71.265687287090.01739383481770.1755159449981.88229639545-0.9395851339052.69451327153-0.003806797045010.07890317896480.107331277501-0.4394632926620.217274475984-0.0763936038604-0.06999242166450.1314700073-9.35079639874E-80.597697460574-0.136254897827-0.06599514737310.46027692144-0.01602373211670.48114067219920.017272377619.280437592-57.1790660377
81.13259526241-0.3200875132860.6244848412071.01320917772-0.5139259081411.2863716723-0.174065335342-0.280426349920.6632284990780.1125111533950.0926292533270.301851634125-0.470098260736-0.36309808957-2.08626866611E-70.4036493123630.0940311387569-0.02957440627090.392060749015-0.001852829083720.53924656528512.027926841622.2588738532-30.356114361
92.52732531737-0.5005823166310.1442957444511.31498946718-0.02660193254392.79547246438-0.178771944006-0.03089094945010.146589890450.1406984824190.0835024697406-0.159633912879-0.1723746727470.2282885773897.85204909087E-80.270986192829-0.0121971059072-0.06072576175620.3499256289460.005847785888050.34166339497234.856262387110.3626929882-25.0832197605
101.734978764030.3452446844110.4649899925410.9555598464370.7735971532091.650156894190.1053143783760.66379961917-0.273346808436-0.4536651110710.00390596370311-0.02460092885360.1218183179020.5467978944730.0003089107065610.3230365995140.0305285241054-0.0309283687430.578020592023-0.07053397592770.40324980846533.1423102326-0.660188484802-44.117626533
110.135309062537-0.08983514586730.02340816141270.112239930398-0.1218724847550.1159493420890.01033192470380.106448192458-0.0808155333422-0.0856281812838-0.1074799654480.05265769385690.04840480965670.09716669963721.78943081537E-60.1890034283480.001184935959660.00586909570750.3011514580.04696489337280.29528704682814.34194739687.27991509605-31.6059902167
121.25253142792-0.7003958094040.944620214040.399712226429-0.5828400755611.71253360862-0.07618314081450.00936442801766-0.527195530588-0.9258477629760.6341566098350.6612766389930.399513268162-0.7104536131770.09281944487690.603353301947-0.210789918672-0.2360268632580.4889101028550.007476439520130.43080163128615.8948586033.04875867295-52.4188373944
131.31330040357-0.345910002606-1.061319382621.47249715161-0.5376215824963.53828039679-0.265080168527-0.132636929853-0.0946050980696-0.07030201501190.106299400267-0.1571018487410.3416068582980.261135486793-5.89139052848E-80.710990156901-0.00450617228530.1365253428230.410443863908-0.01758069203220.4428048061033.91482452159-43.9574486922-47.3545832831
141.265657666740.293207446571-0.5183665668441.27454937525-0.8482987857231.763465845010.02968790969030.152716448019-0.304235188450.001850490145280.04867367617270.5836972775440.221673921986-0.378243362546-1.63883659004E-70.444813874332-0.08041771380460.01221041650920.4621314487780.003743369133650.54466100114-8.31351363566-41.7309822461-72.6802574828
152.70154169153-0.396129284235-0.7312979662310.4662394899120.0705156759562.980014775610.04894590064440.102359170036-0.3075681736940.0361889037195-0.07585931273180.05671743170420.212795356258-0.02441442489811.05341320899E-70.424919086530.030948979170.001835728314170.299814395712-0.04087976332790.37890789316216.2424687195-43.6750147688-81.5590667842
161.35421064572-0.5641597731370.1881694415090.6405960413110.1581382388831.164263135240.104902125292-0.5112046595920.02131082712340.4960401129090.0267542490517-0.269697421930.05015151316240.5376362426071.25871591676E-70.558855305909-0.0294657615313-0.04156489776620.580457314936-0.04270276378870.38466424707623.7977367122-33.7458724042-63.0331043347
170.2603798678140.105202062571-0.0705210188120.0606655030058-0.05209767342880.05308864070270.40975435205-0.1709186205520.1988986301360.178679089551-0.03933013107180.445858245245-0.08864315073210.0811281682289-1.07581708639E-60.476201461544-0.01456798341060.136524730770.3233051728720.02983145552150.4157907359751.68440324806-30.1224501097-72.6963383232
180.943712370914-0.574141976656-0.03267420118460.337345449131-0.1349253741860.9717210621490.29395937695-0.0762123285640.2917106032320.3807412669790.1483336243010.0344723224496-0.720506057939-0.2066252249010.02851777505320.831928847961-0.1024066883210.1018427960440.36081427026-0.0883826543520.3658339180838.32851679217-28.0311092098-52.1662398438
190.9883413727851.10126687784-0.08209104778443.33767537004-1.074096234562.25423041953-0.01114324108440.117722451918-0.01317531616770.5191844606380.1341592683780.197424663069-0.111449109462-0.209904329506-3.83726477801E-80.6216553953120.0107057374509-0.03661059390260.4537447317610.036716979650.4337608837311.31283667736.75431307728-81.0458194702
201.462939901970.360323026437-0.7033788202351.4707592384-0.1047060190651.69599851304-0.006974927505240.149861598726-0.127833604011-0.289679235391-0.072899302943-0.1243350010520.181837233229-0.0965115838891-1.09955470688E-70.5089373109910.01528917910020.03313044756270.3915219661580.02228431706840.39073512973912.1968214321-18.6698602389-92.9379464302
211.40543763692-0.0660790183530.0203243372931.441867448640.5498368989411.360173855910.1216778638460.6658199978060.117217336227-0.1123100878450.2513414179350.883654544406-0.00106746958207-1.095726292198.57941760537E-80.5525378414190.0292279164566-0.02333075087750.9698689380020.1979293186760.834104844911-13.3849697254-18.3985708264-88.7601079509
221.085109507550.1471212697270.4175267630580.6681450488870.2439873137890.5461250786050.439890318555-0.4089698713720.7829638700240.8265040033460.04555162745120.667992738891-0.959045122587-0.486284422288-0.0001995163352741.038767828410.1793138387370.3627677890020.6736215772730.04766252071710.882092052659-10.6167067068-6.24729210693-70.9829831343
230.2337068443130.0654615484618-0.1700432048270.2949370756550.1881895356340.2744057075580.2975962106040.1825115918950.3689976142760.243139907659-0.02533073504570.427927622118-0.00633496789065-0.000765055972365-9.27674577092E-70.454316738648-0.005343798114670.06259382878590.3325161812840.04350348732360.4211725558835.78286123147-21.3574633332-79.286091149
242.710080385772.14924604920.3861668709433.325530063810.8788514120280.272814757570.304373692328-0.373405644906-0.6000425888421.40974661133-0.22844139131-0.6782390052730.1347898481760.380150177218-0.04214407917741.18069599798-0.114190420853-0.02404999700150.519040161820.02264636427310.3637301875298.72167638422-4.31940253938-67.4984338291
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain A and resid 238:329AA238 - 3291 - 92
22chain A and resid 330:386AA330 - 38693 - 149
33chain A and resid 387:495AA387 - 495150 - 258
44chain A and resid 496:575AA496 - 575259 - 326
55chain FFC1 - 6
66chain G or chain HG - HB - D1 - 4
77chain B and resid 239:329BP239 - 3291 - 91
88chain B and resid 330:386BP330 - 38692 - 148
99chain B and resid 387:495BP387 - 495149 - 257
1010chain B and resid 496:575BP496 - 575258 - 324
1111chain JJR1 - 6
1212chain K or chain LK - LQ - S1 - 4
1313chain C and resid 239:329CU239 - 3291 - 91
1414chain C and resid 330:386CU330 - 38692 - 148
1515chain C and resid 387:495CU387 - 495149 - 257
1616chain C and resid 496:575CU496 - 575258 - 326
1717chain NNW1 - 6
1818chain O or chain PO - PV - X1 - 4
1919chain D and resid 239:329DZ239 - 3291 - 91
2020chain D and resid 330:386DZ330 - 38692 - 148
2121chain D and resid 387:495DZ387 - 495149 - 257
2222chain D and resid 496:575DZ496 - 575258 - 325
2323chain RRO1 - 6
2424chain T or chain UT - UN - P1 - 4

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