3ULI
Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.304, 71.352, 71.914 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.640 - 2.000 |
| R-factor | 0.23793 |
| Rwork | 0.234 |
| R-free | 0.30250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.546 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0046) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.350 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.100 | 0.613 |
| Number of reflections | 17783 | |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 92.9 | 92.5 |
| Redundancy | 5.67 | 4.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 296 | 50MM AMMONIUM ACETATE, 10-12% PEG4K, 0.1M HEPES PH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
