6GU6
CDK1/Cks2 in complex with Dinaciclib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 93.704, 97.232, 108.564 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.430 - 2.330 |
| R-factor | 0.20317 |
| Rwork | 0.201 |
| R-free | 0.24586 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yc6 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.850 |
| 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] | 72.430 | 2.410 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.050 | 0.420 |
| Number of reflections | 21580 | |
| <I/σ(I)> | 10.8 | 2.4 |
| Completeness [%] | 99.8 | 97.7 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | CONDITIONS AROUND 0.1M BIS-TRIS(PH6.5), 0.2M SODIUM NITRATE 20% PEG3350, PROTEIN AT 10-12 MG/ML, 0.5Mm INHIBITOR |
