7R59
PARP2 catalytic domain in complex with OUL245
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.380, 67.820, 86.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.470 - 2.000 |
R-factor | 0.1895 |
Rwork | 0.187 |
R-free | 0.23780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tvj |
RMSD bond length | 0.009 |
RMSD bond angle | 1.494 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 23900 | 1743 |
<I/σ(I)> | 9.47 | |
Completeness [%] | 100.0 | |
Redundancy | 13.4 | |
CC(1/2) | 0.996 | 0.726 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100 mM Tris pH 9.5 and 20% PEG 3350 |