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. * |