4GV0
Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0355
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-06 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.93340 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.679, 56.729, 56.953 |
| Unit cell angles | 90.00, 112.69, 90.00 |
Refinement procedure
| Resolution | 52.540 - 1.900 |
| R-factor | 0.17222 |
| Rwork | 0.170 |
| R-free | 0.21890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fhb |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.658 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.540 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.093 | 0.667 |
| Number of reflections | 25121 | |
| <I/σ(I)> | 20.1 | 3.4 |
| Completeness [%] | 98.3 | 97.7 |
| Redundancy | 7.6 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2.1M DL-Malic Acid, 0.05M Bis-tris-propane, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
