2V22
REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-14 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.693, 113.571, 156.025 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.000 - 2.600 |
| R-factor | 0.174 |
| Rwork | 0.171 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ol1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.694 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.110 | 1.060 |
| Number of reflections | 126787 | |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 95.4 | 98 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | 22% PEG 3350, 0.1M NA3-CIT, pH 7.8 |
