2A0C
Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-10-02 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.93400 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.242, 70.945, 71.869 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.637 - 1.950 |
R-factor | 0.19361 |
Rwork | 0.191 |
R-free | 0.24412 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.703 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.640 | 2.010 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.325 | |
Number of reflections | 20070 | |
<I/σ(I)> | 4.2 | |
Completeness [%] | 98.6 | 98.6 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | PEG 6000, NA-HEPES,, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |