9DEV
PARP4 BRCT domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-14 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.12 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 114.428, 114.428, 114.428 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.350 - 1.750 |
| R-factor | 0.17529 |
| Rwork | 0.175 |
| R-free | 0.18760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.276 |
| 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 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 12637 | 714 |
| <I/σ(I)> | 23.7 | 1.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.7 | 8.3 |
| CC(1/2) | 0.999 | 0.775 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2M ammonium sulfate, 0.15M Citric Acid pH3.5 |
