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8HKS

Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Pamiparib(BGB-290)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL02U1
Synchrotron siteSSRF
BeamlineBL02U1
Temperature [K]100
Detector technologyPIXEL
Collection date2022-01-01
DetectorDECTRIS EIGER X 9M
Wavelength(s)0.97919
Spacegroup nameP 1 21 1
Unit cell lengths81.006, 86.333, 103.619
Unit cell angles90.00, 112.44, 90.00
Refinement procedure
Resolution95.770 - 2.800
R-factor0.184
Rwork0.181
R-free0.23820
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)Alphafold model
RMSD bond length0.003
RMSD bond angle0.600
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]95.7702.900
High resolution limit [Å]2.8002.800
Number of reflections317162855
<I/σ(I)>16.27
Completeness [%]94.8
Redundancy3.6
CC(1/2)0.9940.861
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29125% PEG-3350, 0.1 M Tris-HCl pH 8.5

221051

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