5FGK
CDK8-CYCC IN COMPLEX WITH 8-[3-(3-Amino-1H-indazol-6-yl)-5-chloro- pyridine-4-yl]-2,8-diaza-spiro[4.5]decan-1-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2012-07-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00008 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.943, 71.928, 177.926 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.960 - 2.360 |
| R-free | 0.23690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.252 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.960 | 2.610 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.082 | 0.483 |
| Rmeas | 0.100 | 0.043 |
| Total number of observations | 105854 | |
| Number of reflections | 38677 | 146 |
| <I/σ(I)> | 9.17 | 2.31 |
| Completeness [%] | 97.4 | 99.1 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | RESERVOIR SOLUTION : pH 6.90 |
