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 |