1H01
CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-12-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.131, 70.698, 72.483 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.770 - 1.790 |
| Rwork | 0.190 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| 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] | 31.770 | 1.890 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.033 | 0.156 |
| Number of reflections | 24559 | |
| <I/σ(I)> | 23.6 | 8.5 |
| Completeness [%] | 94.0 | 79 |
| Redundancy | 2.4 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7 | Lawrie, A.M., (1997) Nat.Struct.Biol., 4, 796. * |
