4GV4
Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0328
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.99190 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.664, 56.742, 56.977 |
| Unit cell angles | 90.00, 112.74, 90.00 |
Refinement procedure
| Resolution | 28.370 - 1.800 |
| R-factor | 0.1643 |
| Rwork | 0.162 |
| R-free | 0.20333 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fhb |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.549 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.079 | 0.568 |
| Number of reflections | 29828 | |
| <I/σ(I)> | 21.5 | 21.5 |
| Completeness [%] | 99.4 | 97.6 |
| Redundancy | 7.4 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.8M DL-Malic Acid, 0.1M Bis-tris-propane, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
