6FDY
Unc-51-Like Kinase 3 (ULK3) In Complex With Bosutinib
Experimental 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 | 2016-09-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9282 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 92.375, 169.406, 45.919 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.180 - 1.700 |
| R-factor | 0.20686 |
| Rwork | 0.205 |
| R-free | 0.23871 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wnp |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.898 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.180 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmeas | 0.090 | 0.824 |
| Number of reflections | 39968 | 1951 |
| <I/σ(I)> | 13.4 | 2.1 |
| Completeness [%] | 100.0 | 99.1 |
| Redundancy | 6.5 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.1 M Tris pH 8.5; 0.2 M sodium citrate; 30% PEG400 |
