4ZZY
Structure of human PARP2 catalytic domain bound to an isoindolinone inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 74.377, 74.377, 148.463 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.500 - 2.200 |
R-factor | 0.21945 |
Rwork | 0.216 |
R-free | 0.28037 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kcz |
RMSD bond length | 0.016 |
RMSD bond angle | 1.856 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.080 | 0.450 |
Number of reflections | 21921 | |
<I/σ(I)> | 20.6 | 6.5 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 25% PEG4000, 0.2M MAGNESIUM CLORIDE, 0.1 M TRIS PH 8.5 |