2PQF
Human Poly(ADP-Ribose) Polymerase 12, Catalytic fragment in complex with an inhibitor 3-Aminobenzoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | I 4 |
| Unit cell lengths | 206.590, 206.590, 84.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.600 - 2.200 |
| R-factor | 0.19922 |
| Rwork | 0.198 |
| R-free | 0.24440 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.585 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.3.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.071 | 0.432 |
| Number of reflections | 90498 | |
| <I/σ(I)> | 12.8 | 3.5 |
| Completeness [%] | 1.0 | 99.1 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.3 | 298 | 9% PEG 6000, 100mM Na Citrate, 2% DMSO, pH 4.3, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 4.30 |
