3LE6
The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 277 |
| Detector technology | CCD |
| Collection date | 1999-03-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.220, 70.964, 72.211 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.680 - 2.000 |
| R-factor | 0.196 |
| Rwork | 0.193 |
| R-free | 0.24800 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.800 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNX (2005) |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.700 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.065 | 0.254 |
| Number of reflections | 19017 | |
| Completeness [%] | 99.7 | 99.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | PEG 3350, ammonium fluoride, Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
