7PWL
PARP15 catalytic domain in complex with OUL218
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 | 2019-10-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.340, 68.680, 161.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.690 - 2.000 |
| R-factor | 0.1925 |
| Rwork | 0.191 |
| R-free | 0.22640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7oth |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.436 |
| 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 | 34972 | 2547 |
| <I/σ(I)> | 9.42 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13.1 | |
| CC(1/2) | 0.996 | 0.755 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M ammonium chloride pH 7.5, 18% PEG 3350 |
