1H00
CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-08 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.529, 72.239, 72.137 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.300 - 1.600 |
| Rwork | 0.208 |
| R-free | 0.25000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.100 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNX (2000.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.300 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.036 | 0.372 |
| Total number of observations | 106279 * | |
| Number of reflections | 35229 * | |
| <I/σ(I)> | 20.9 | 2 |
| Completeness [%] | 93.6 | 69.7 |
| Redundancy | 3 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7 | Lawrie, A.M., (1997) Nat.Struct.Biol., 4, 796. * |
