1KE5
CDK2 complexed with N-methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-02-23 |
Detector | RIGAKU RAXIS II |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.390, 73.960, 54.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.200 |
R-factor | 0.184 * |
Rwork | 0.184 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 * |
RMSD bond angle | 1.400 * |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 500.000 * | 2.340 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.043 | 0.082 |
Total number of observations | 51192 * | |
Number of reflections | 13376 | |
<I/σ(I)> | 18.2 | 15.5 |
Completeness [%] | 87.6 | 90.6 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 20 * | Shewchuk L., (2000) J. Med. Chem., 43, 133. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | HEPES | 20 (mM) | |
3 | 1 | drop | EDTA | 1 (mM) | |
4 | 1 | reservoir | PEG3340 | 10 (%) |