7PWW
PARP15 catalytic domain in complex with OUL224
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 | 2020-02-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.400, 68.620, 160.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.720 - 2.150 |
R-factor | 0.1845 |
Rwork | 0.182 |
R-free | 0.22730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3blj |
RMSD bond length | 0.006 |
RMSD bond angle | 1.338 |
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 | 2.210 |
High resolution limit [Å] | 2.150 | 2.150 |
Number of reflections | 27868 | 1894 |
<I/σ(I)> | 12.95 | |
Completeness [%] | 99.4 | |
Redundancy | 6.1 | |
CC(1/2) | 0.998 | 0.899 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M ammonium chloride pH 7.5, 20% PEG 3350 |