1H07
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 PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-05-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.323, 71.543, 72.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.350 - 1.850 |
Rwork | 0.210 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 22.400 * |
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] | 32.350 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.096 | 0.191 |
Total number of observations | 53065 * | |
Number of reflections | 21455 | |
<I/σ(I)> | 10.2 | 4.7 |
Completeness [%] | 87.7 * | 71.6 |
Redundancy | 2.5 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7 | Lawrie, A.M., (1997) Nat.Struct.Biol., 4, 796. * |