6FDZ
Unc-51-Like Kinase 3 (ULK3) In Complex With Momelotinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 75.836, 75.836, 214.691 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.680 - 2.550 |
| R-factor | 0.23379 |
| Rwork | 0.230 |
| R-free | 0.30109 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wnp |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.683 |
| 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] | 214.690 | 2.590 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmeas | 0.140 | 1.636 |
| Number of reflections | 12814 | 608 |
| <I/σ(I)> | 17 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 18.7 | 19.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M HEPES pH 7.5, 0.2 M MgCl2, 30% 2-propanol |
