4BCN
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 I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.050, 135.080, 148.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.915 - 2.100 |
| R-factor | 0.1856 |
| Rwork | 0.184 |
| R-free | 0.21910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.774 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.910 | 2.210 |
| High resolution limit [Å] | 2.070 | 2.100 |
| Rmerge | 0.080 | 0.550 |
| Number of reflections | 87330 | |
| <I/σ(I)> | 6.68 | 1.38 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.02 | 4.05 |
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. |
