8SX1
PARP4 catalytic domain
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 | 2021-09-08 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.18 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 126.577, 71.579, 163.968 |
| Unit cell angles | 90.00, 103.27, 90.00 |
Refinement procedure
| Resolution | 47.070 - 4.200 |
| R-factor | 0.2801 |
| Rwork | 0.277 |
| R-free | 0.33120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.257 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.070 | 4.540 |
| High resolution limit [Å] | 4.200 | 4.200 |
| Rmerge | 0.162 | 0.789 |
| Rmeas | 0.183 | 0.891 |
| Rpim | 0.084 | 0.406 |
| Total number of observations | 20184 | |
| Number of reflections | 40403 | 4357 |
| <I/σ(I)> | 6.1 | 1.8 |
| Completeness [%] | 99.8 | |
| Redundancy | 4.6 | 4.6 |
| CC(1/2) | 0.997 | 0.687 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 23% PEG3350 and 0.1 M Bis-Tris pH 6.5 |
