7PWK
PARP15 catalytic domain in complex with OUL239
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-09 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.450, 69.300, 162.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.820 - 1.800 |
| R-factor | 0.2174 |
| Rwork | 0.216 |
| R-free | 0.23920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7oth |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.377 |
| 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 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 48595 | 3553 |
| <I/σ(I)> | 7.74 | |
| Completeness [%] | 99.8 | |
| Redundancy | 6.1 | |
| CC(1/2) | 0.992 | 0.611 |
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 |
