2WHB
Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-16 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.423, 114.924, 154.468 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.900 |
| R-factor | 0.1887 |
| Rwork | 0.186 |
| R-free | 0.26393 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ol1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.589 |
| 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] | 30.000 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.120 | 0.670 |
| Number of reflections | 29405 | |
| <I/σ(I)> | 4.4 | 1.6 |
| Completeness [%] | 98.0 | 96.2 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | 18% V/V PEG3350 AND 0.1M SODIUM CITRATE, pH 7.8 |
