7R3O
PARP15 catalytic domain in complex with OUL40
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.240, 68.540, 158.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.500 - 2.200 |
| R-factor | 0.2053 |
| Rwork | 0.203 |
| R-free | 0.24180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3blj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.515 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 25834 | 1893 |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.994 | 0.791 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M ammonium chloride pH 7.5, 16 - 20% (w/v) PEG 3350 |
