8I0M
Structure of CDK6 in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-14 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97910 |
| Spacegroup name | I 4 |
| Unit cell lengths | 100.870, 100.870, 59.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.450 - 2.777 |
| R-factor | 0.20665 |
| Rwork | 0.203 |
| R-free | 0.28160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.388 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | REFMAC (7.1.010) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.450 | 2.871 |
| High resolution limit [Å] | 2.772 | 2.772 |
| Rmerge | 0.161 | 2.314 |
| Rmeas | 0.167 | 2.417 |
| Rpim | 0.045 | 0.690 |
| Number of reflections | 7680 | 739 |
| <I/σ(I)> | 15.71 | 1.85 |
| Completeness [%] | 99.7 | 98.53 |
| Redundancy | 13.6 | |
| CC(1/2) | 0.999 | 0.565 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | 0.2 M BIS-TRIS pH 7.0, 20% PEG 4,000 |
