5L2I
The X-ray co-crystal structure of human CDK6 and Palbociclib.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 98.15 |
| Detector technology | PIXEL |
| Collection date | 2013-08-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 4 |
| Unit cell lengths | 101.749, 101.749, 60.778 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.000 - 2.750 |
| R-factor | 0.2346 |
| Rwork | 0.226 |
| R-free | 0.30370 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3nux |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.750 |
| Number of reflections | 8324 |
| <I/σ(I)> | 14.6 |
| Completeness [%] | 100.0 |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 286.15 | 1:1 (protein to well buffer) with well buffer containing: 0.1 M MES pH 6.0, 70 - 80 mM NH4NO3, 10 - 15% polyethyleneglycol 3350. |
