4BCK
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 I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.202, 140.369, 155.169 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.863 - 2.052 |
| R-factor | 0.1954 |
| Rwork | 0.193 |
| R-free | 0.23580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.675 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.860 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.040 | 0.540 |
| Number of reflections | 101828 | |
| <I/σ(I)> | 14.55 | 1.45 |
| Completeness [%] | 96.5 | 83.6 |
| Redundancy | 3.74 | 2.94 |
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. |
