9GLA
Crystal structure of a CDK2-based CDK7 mimic with inhibitor SY5609
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-08 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.98011 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 71.937, 109.786, 163.554 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.460 - 2.180 |
| R-factor | 0.20348 |
| Rwork | 0.201 |
| R-free | 0.24906 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.349 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.470 | 48.470 | 2.310 |
| High resolution limit [Å] | 2.180 | 6.500 | 2.180 |
| Rmerge | 0.322 | ||
| Rmeas | 0.335 | ||
| Number of reflections | 33815 | 1398 | 5245 |
| <I/σ(I)> | 9.47 | ||
| Completeness [%] | 99.3 | 97.1 | |
| Redundancy | 13.3 | ||
| CC(1/2) | 0.996 | 0.998 | 0.358 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.8 M succinic acid pH 7.0 |
