7M2F
CDK2 with compound 14 inhibitor with carboxylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-01-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.260, 71.100, 71.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.750 - 1.632 |
| R-factor | 0.2131 |
| Rwork | 0.211 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b38 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | BUSTER (2.11.7 (29-NOV-2019)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.750 | 1.660 |
| High resolution limit [Å] | 1.632 | 1.632 |
| Rmerge | 0.053 | 0.824 |
| Rpim | 0.023 | 0.351 |
| Number of reflections | 31728 | 1690 |
| <I/σ(I)> | 15.8 | |
| Completeness [%] | 91.9 | |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 290 | 20% PEG 10K, 0.1M HEPES |
