3NS9
Crystal structure of CDK2 in complex with inhibitor BS-194
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.050, 70.690, 72.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.430 - 1.780 |
| R-factor | 0.2052 |
| Rwork | 0.202 |
| R-free | 0.26480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hck |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.028 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.431 | 42.431 | 1.880 |
| High resolution limit [Å] | 1.780 | 5.640 | 1.780 |
| Rmerge | 0.061 | 0.699 | |
| Total number of observations | 2893 | 12389 | |
| Number of reflections | 26364 | ||
| <I/σ(I)> | 6.7 | 7.8 | 1 |
| Completeness [%] | 99.4 | 96.3 | 99.6 |
| Redundancy | 3.3 | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 0.1M ammonium acetate, pH 7.8, 6% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
