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6I8M

THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH ISOINDOLINONE INHIBITOR

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Detector technologyCCD
Collection date2008-11-25
DetectorNonius Kappa CCD
Wavelength(s)0.961
Spacegroup nameP 21 21 21
Unit cell lengths58.053, 64.299, 97.707
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution32.340 - 2.100
R-factor0.20985
Rwork0.207
R-free0.26012
RMSD bond length0.009
RMSD bond angle1.708
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.8.0230)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.180
High resolution limit [Å]2.1002.100
Rmerge0.0370.185
Number of reflections21543
<I/σ(I)>225.8
Completeness [%]97.790.9
Redundancy4.64.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.527720-25% PEG 550, 8% 2-propanol and 100 mM Tris-HCl

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