8SWY
PARP4 ART domain bound to NADH
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 | 2021-06-29 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.12 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 116.904, 151.699, 104.601 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.410 - 2.550 |
| R-factor | 0.2129 |
| Rwork | 0.211 |
| R-free | 0.25360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.299 |
| 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] | 46.410 | 2.660 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.063 | 1.426 |
| Rmeas | 0.067 | 1.509 |
| Rpim | 0.022 | 0.486 |
| Total number of observations | 35054 | |
| Number of reflections | 58576 | 3729 |
| <I/σ(I)> | 19.6 | 1.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 9 | 9.4 |
| CC(1/2) | 0.999 | 0.612 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 21% PEG3350, 0.2M sodium citrate tribasic dihydrate, 1% ethylene glycol, 800uM NADH |
