4TVJ
HUMAN ARTD2 (PARP2) - CATALYTIC DOMAIN IN COMPLEX WITH OLAPARIB
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 315 |
| Wavelength(s) | 0.99190 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.083, 134.123, 58.348 |
| Unit cell angles | 90.00, 117.96, 90.00 |
Refinement procedure
| Resolution | 29.280 - 2.100 |
| R-factor | 0.18984 |
| Rwork | 0.188 |
| R-free | 0.23103 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kcz |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.530 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.109 | 0.669 |
| Number of reflections | 45851 | |
| <I/σ(I)> | 14.6 | 3.1 |
| Completeness [%] | 99.5 | 98.4 |
| Redundancy | 7.5 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 25% PEG3350, 0.1M Tris |
