3ODE
Human PARP-1 zinc finger 2 (Zn2) bound to DNA
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 | 2009-07-31 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.99 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 62.804, 62.804, 196.049 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.805 - 2.950 |
| R-factor | 0.2009 |
| Rwork | 0.199 |
| R-free | 0.24440 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.473 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
| High resolution limit [Å] | 2.950 | 8.000 | 2.950 |
| Rmerge | 0.103 | 0.043 | 0.869 |
| Number of reflections | 9957 | ||
| <I/σ(I)> | 11.7 | ||
| Completeness [%] | 98.6 | 98.3 | 96 |
| Redundancy | 7.7 | 9.1 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 298 | 1.36-1.42 M sodium citrate pH 6.5, vapor diffusion, temperature 298K |
