6MNY
Crystal structure of mouse BTK kinase domain in complex with compound 9a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 173 |
| Detector technology | PIXEL |
| Collection date | 2017-12-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.945, 63.515, 70.005 |
| Unit cell angles | 76.77, 85.27, 78.13 |
Refinement procedure
| Resolution | 68.100 - 2.800 |
| R-factor | 0.199 |
| Rwork | 0.196 |
| R-free | 0.25700 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.100 | 2.890 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.147 | 0.467 |
| Number of reflections | 16257 | 2364 |
| <I/σ(I)> | 6.3 | |
| Completeness [%] | 96.8 | 96.1 |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 12% PEG 3350, 0.1 M Bis-Tris pH 6.0, 0.1 M sodium malonate |
