2RCW
PARP complexed with A620223
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 32-ID |
| Synchrotron site | APS |
| Beamline | 32-ID |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2004-07-16 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 94.166, 94.166, 68.380 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.900 - 2.800 |
| R-factor | 0.245 |
| Rwork | 0.234 |
| R-free | 0.31700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uk0 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.800 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.890 |
| High resolution limit [Å] | 2.800 | 2.790 |
| Number of reflections | 8157 | |
| <I/σ(I)> | 13.8 | 3.8 |
| Completeness [%] | 90.7 | 65 |
| Redundancy | 5.4 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | protein 60mg/ml in 50 mM Tris, 150 mM NaCl, 1.5 mM DTT PH 7.5; Well solution contains 1.3 M Ammonium Sulfate, 1.3 M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
