9DFP
PARP4 BRCT domain K23/24Q mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-02 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.2 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 114.664, 114.664, 114.664 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.390 - 1.920 |
| R-factor | 0.17751 |
| Rwork | 0.175 |
| R-free | 0.21934 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.210 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Number of reflections | 9666 | 656 |
| <I/σ(I)> | 23.7 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.7 | 8.5 |
| CC(1/2) | 1.000 | 0.621 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 27% PEG3350, 0.2M ammonium sulfate and 0.1M sodium acetate pH 4.6 |
