7OTH
PARP15 catalytic domain in complex with OUL219
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 EIGER2 X 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.280, 68.700, 160.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.630 - 1.700 |
| R-factor | 0.1912 |
| Rwork | 0.190 |
| R-free | 0.21410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3blj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.359 |
| 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 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 56195 | 4118 |
| <I/σ(I)> | 11.96 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.1 | |
| CC(1/2) | 0.990 | 0.571 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 0.2 M ammonium chloride pH 7.5, 20% (w/v) PEG 3350 |
