6R3S
CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-08-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.99988 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.598, 71.120, 169.785 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.890 - 2.190 |
| R-factor | 0.20161 |
| Rwork | 0.201 |
| R-free | 0.22679 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.242 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.890 | 2.440 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.066 | 0.444 |
| Number of reflections | 43086 | 11853 |
| <I/σ(I)> | 13.48 | |
| Completeness [%] | 96.1 | 96.9 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | 20% PEG3350, 0.2 M sodium formate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |
