3GOY
Crystal structure of human poly(adp-ribose) polymerase 14, catalytic fragment in complex with an inhibitor 3-aminobenzamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-10 |
| Detector | ADSC QUANTUM Q315r |
| Wavelength(s) | 0.98003 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 82.750, 144.270, 79.700 |
| Unit cell angles | 90.00, 100.55, 90.00 |
Refinement procedure
| Resolution | 24.558 - 2.800 |
| R-factor | 0.2546 |
| Rwork | 0.253 |
| R-free | 0.29250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3blj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.956 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.870 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.146 | 0.754 |
| Number of reflections | 22380 | |
| <I/σ(I)> | 10.2 | 2.9 |
| Completeness [%] | 98.7 | 98 |
| Redundancy | 6.6 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 20% PEG3350, 0.2M Sodium-malonate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
