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9FEG

PARP15 in complex with a quinazolin-4-one inhibitor

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I24
Synchrotron siteDiamond
BeamlineI24
Temperature [K]100
Detector technologyPIXEL
Collection date2024-03-13
DetectorDECTRIS EIGER2 X 9M
Wavelength(s)0.97950
Spacegroup nameP 21 21 21
Unit cell lengths45.263, 68.460, 159.596
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.550 - 1.750
R-factor0.1836
Rwork0.182
R-free0.21270
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle0.847
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX (1.19.2_4158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.860
High resolution limit [Å]1.7501.750
Number of reflections509678073
<I/σ(I)>11.51
Completeness [%]100.0
Redundancy6.53
CC(1/2)0.9980.787
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION293.15Growth solution: 200 mM NH4Cl, 20 % PEG3350 Cryo solution: 200 mM NH4Cl, 30 % MPD.

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