4BCO
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.902, 133.813, 148.382 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.599 - 2.050 |
| R-factor | 0.1906 |
| Rwork | 0.189 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.902 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.360 | 2.160 |
| High resolution limit [Å] | 1.580 | 2.050 |
| Rmerge | 0.080 | 0.540 |
| Number of reflections | 92057 | |
| <I/σ(I)> | 7.16 | 1.41 |
| Completeness [%] | 99.2 | 99.4 |
| Redundancy | 3.22 | 3.29 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | COCRYSTALS WERE GROWN IN 1-1.25M AMMONIUM SULFATE, 0.5-0.9M KCL, 100MM HEPES, PH 7.0, 5MM DTT AND IN THE PRESENCE OF COMPOUND. |
