4ID7
ACK1 kinase in complex with the inhibitor cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-10 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00001 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 94.659, 94.659, 187.267 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.810 - 3.000 |
| R-factor | 0.2133 |
| Rwork | 0.210 |
| R-free | 0.25920 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.028 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.630 | 3.240 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.088 | 0.443 |
| Number of reflections | 8897 | |
| <I/σ(I)> | 7 | 1.7 |
| Completeness [%] | 90.5 | 91.9 |
| Redundancy | 5 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | ligang replacement | ligang replacement |
