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. * |