5HBJ
CDK8-CYCC IN COMPLEX WITH 8-[2-Amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)-pyridin-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 | 2012-09-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.999970 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.749, 71.774, 176.434 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.220 - 3.000 |
| R-free | 0.28850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.079 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.220 | 3.250 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.084 | 0.482 |
| Rmeas | 0.100 | 0.023 |
| Total number of observations | 53920 | |
| Number of reflections | 18594 | 80 |
| <I/σ(I)> | 14.01 | 0.493 |
| Completeness [%] | 94.6 | 94.6 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | RESERVOIR SOLUTION : pH 6.90 |
