4BC6
Crystal structure of human serine threonine kinase-10 bound to novel Bosutinib Isoform 1, previously thought to be Bosutinib
Replaces: 3ZZ2Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-07-13 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 51.170, 114.030, 134.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.180 - 2.200 |
| R-factor | 0.2136 |
| Rwork | 0.211 |
| R-free | 0.25360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j7t |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.180 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.040 | 0.720 |
| Number of reflections | 20251 | |
| <I/σ(I)> | 16.3 | 1.9 |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 4.4 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1M SPG PH 7.0; 60% MPD |
