2WFY
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 | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.621, 115.813, 157.911 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.530 |
| R-factor | 0.19466 |
| Rwork | 0.193 |
| R-free | 0.25878 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1okv |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.608 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.560 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.300 | 0.300 |
| Number of reflections | 46387 | |
| <I/σ(I)> | 9 | 1.34 |
| Completeness [%] | 80.0 | 70 |
| Redundancy | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | PEG3350 30% V/V, 0.1M TRI-SODIUM CITRATE, pH 7.8 |
