6GU7
CDK1/Cks2 in complex with AZD5438
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.995, 149.202, 87.260 |
| Unit cell angles | 90.00, 92.23, 90.00 |
Refinement procedure
| Resolution | 87.350 - 2.750 |
| R-factor | 0.2292 |
| Rwork | 0.227 |
| R-free | 0.27370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yc6 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.540 |
| 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] | 87.350 | 87.350 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.090 | 0.800 |
| Number of reflections | 45022 | |
| <I/σ(I)> | 8.8 | 1.4 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | CONDITIONS AROUND 0.1M TRIS/BICINE (PH8.5), 10% PEG8K, 20% ETHYLENE GLYCOL PROTEIN AT 10-12 MG/ML, 0.5mM INHIBITOR |
