9DFO
PARP4 BRCT domain K31Q 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 | 114.769, 114.769, 114.769 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.410 - 1.900 |
| R-factor | 0.17215 |
| Rwork | 0.170 |
| R-free | 0.20843 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.259 |
| 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 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 9972 | 653 |
| <I/σ(I)> | 36.9 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 8.6 | 8.1 |
| CC(1/2) | 1.000 | 0.837 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 31% PEG3350, 0.2M ammonium sulfate and 0.1M sodium acetate pH 4.6 |
