5HQ0
Ternary complex of human proteins CDK1, Cyclin B and CKS2, bound to an inhibitor
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 | 2013-12-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97957 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.166, 68.646, 166.771 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.260 - 2.300 |
| R-factor | 0.1893 |
| Rwork | 0.186 |
| R-free | 0.25180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.568 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.090 | 0.900 |
| Number of reflections | 34010 | |
| <I/σ(I)> | 13.7 | 2.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.7 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 277 | 0.1 M MES pH6.7, 6.55 MPD, 5% PEG4K, 10% PEG 1K |
