5LX6
Human PARP10 (ARTD10), catalytic fragment in complex with PARP inhibitor Veliparib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-25 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.480, 88.677, 58.405 |
| Unit cell angles | 90.00, 104.68, 90.00 |
Refinement procedure
| Resolution | 47.650 - 1.250 |
| R-factor | 0.2081 |
| Rwork | 0.208 |
| R-free | 0.21260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hkv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.870 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.650 | 1.320 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.057 | |
| Number of reflections | 141779 | |
| <I/σ(I)> | 20 | 1.5 |
| Completeness [%] | 98.7 | 95.8 |
| Redundancy | 6.7 | 5.9 |
| CC(1/2) | 1.000 | 0.600 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 12% PEG3350, 0.1 M Ammonium tartrate |
