8VQ3
CDK2-CyclinE1 in complex with allosteric inhibitor I-198.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 98 |
| Detector technology | PIXEL |
| Collection date | 2023-02-08 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 101.388, 101.388, 151.613 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.230 - 1.840 |
| R-factor | 0.2002 |
| Rwork | 0.199 |
| R-free | 0.21690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.340 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.280 | 1.960 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.091 | 4.490 |
| Number of reflections | 68650 | 1043 |
| <I/σ(I)> | 24.6 | 1.6 |
| Completeness [%] | 86.5 | |
| Redundancy | 26.7 | |
| CC(1/2) | 0.999 | 0.649 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.21 M sodium citrate tribasic dihydrate, 19.09% PEG3350 |
