3ODA
Human PARP-1 zinc finger 1 (Zn1) bound to DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-18 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.99 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.812, 107.334, 86.998 |
| Unit cell angles | 90.00, 100.61, 90.00 |
Refinement procedure
| Resolution | 42.420 - 2.640 |
| R-factor | 0.1989 |
| Rwork | 0.196 |
| R-free | 0.24550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.288 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.700 |
| High resolution limit [Å] | 2.640 | 7.190 | 2.640 |
| Rmerge | 0.090 | 0.038 | 0.509 |
| Number of reflections | 33279 | ||
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 99.9 | 99.5 | 99.9 |
| Redundancy | 4.2 | 4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 298 | 30% PEG 3350, 100 mM NaAcetate, 100 mM Tris pH 8.5, 0.1 mM TCEP, 20% ethylene glycol, vapor diffusion, temperature 298K |
