1R78
CDK2 complex with a 4-alkynyl oxindole inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 1999-10-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.880, 71.962, 72.779 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.300 - 2.000 |
R-factor | 0.21999 |
Rwork | 0.218 |
R-free | 0.27300 * |
Structure solution method | rigid body refinement |
RMSD bond length | 0.010 |
RMSD bond angle | 1.243 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.036 | 0.050 |
Number of reflections | 18512 | |
Completeness [%] | 93.6 | 69.1 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9 | 277 | pH 9, VAPOR DIFFUSION, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 12 (mg/ml) | |
2 | 1 | reservoir | PEG3350 | 10 (%) | |
3 | 1 | reservoir | CHES | 0.1 (M) | pH9. |
4 | 1 | reservoir | beta-mercaptoethanol | 2.5 (%) |