3GEY
Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment in complex with an inhibitor Pj34
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) | 0.98004 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.080, 137.630, 68.050 |
| Unit cell angles | 90.00, 90.37, 90.00 |
Refinement procedure
| Resolution | 24.193 - 2.200 |
| R-factor | 0.2118 |
| Rwork | 0.212 |
| R-free | 0.26970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3blj |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.809 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.102 | 0.224 |
| Number of reflections | 42012 | |
| <I/σ(I)> | 10.4 | 5.7 |
| Completeness [%] | 99.3 | 98.7 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 26% PEG 3350, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
