9FRP
Human PARP10 ART domain bound to a phthalazinone-based inhibitor.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-02-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.752, 88.121, 57.574 |
| Unit cell angles | 90.00, 104.38, 90.00 |
Refinement procedure
| Resolution | 47.170 - 1.400 |
| R-factor | 0.15561 |
| Rwork | 0.155 |
| R-free | 0.17497 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.940 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.170 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.089 | 1.166 |
| Rmeas | 0.097 | 1.263 |
| Rpim | 0.037 | 0.481 |
| Total number of observations | 32837 | |
| Number of reflections | 98126 | 4810 |
| <I/σ(I)> | 11.1 | 2 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.8 | 6.8 |
| CC(1/2) | 0.998 | 0.635 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.56 M NaCl 0.05 M MgSO4 0.05 M MES pH 6 |
