6GUK
CDK2 in complex with CGP74514A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.291, 71.938, 72.391 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.080 - 1.300 |
| R-factor | 0.20569 |
| Rwork | 0.204 |
| R-free | 0.23204 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mhq |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.178 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.080 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.040 | |
| Number of reflections | 69081 | |
| <I/σ(I)> | 15.5 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.9 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5 |
