9NYQ
Crystal structure of CDK2/CyclinE1 in complex with Cpd 3
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-05 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 101.110, 101.110, 152.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.340 - 2.850 |
| R-factor | 0.2401 |
| Rwork | 0.239 |
| R-free | 0.26410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.767 |
| Data reduction software | xia2 |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.340 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.100 | 1.600 |
| Number of reflections | 19193 | 1887 |
| <I/σ(I)> | 24.3 | 2.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 26.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Tri-Ammonium citrate, pH7.0,13% PEG3350 |
