5DS3
Crystal structure of constitutively active PARP-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 12.3.1 |
| Synchrotron site | ALS |
| Beamline | 12.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.12 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 93.405, 93.405, 134.197 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.580 - 2.600 |
| R-factor | 0.20232 |
| Rwork | 0.200 |
| R-free | 0.25087 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gjw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.228 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.710 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 11207 | |
| <I/σ(I)> | 11.8 | 1.4 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 13.8 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 20-25% PEG 3350, 0.2 M Ammonium Sulfate, 0.1 M Bis-Tris, pH 5.5 |
