7PWP
PARP15 catalytic domain in complex with OUL221
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 | 2020-02-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.560, 68.730, 161.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.410 - 2.100 |
| R-factor | 0.2033 |
| Rwork | 0.201 |
| R-free | 0.24340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7oth |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.569 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 30010 | 2053 |
| <I/σ(I)> | 15.5 | |
| Completeness [%] | 98.5 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.999 | 0.864 |
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 |
