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 |