5L4Q
Crystal Structure of Adaptor Protein 2 Associated Kinase 1 (AAK1) in Complex with LKB1 (AAK1 Dual Inhibitor)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.800, 55.050, 86.570 |
Unit cell angles | 90.00, 104.44, 90.00 |
Refinement procedure
Resolution | 46.016 - 1.970 |
R-factor | 0.208 |
Rwork | 0.207 |
R-free | 0.22650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wsq |
RMSD bond length | 0.003 |
RMSD bond angle | 0.742 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.5.23) |
Phasing software | PHASER (2.5.5) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.020 | 46.020 | 2.020 |
High resolution limit [Å] | 1.970 | 8.810 | 1.970 |
Rmerge | 0.108 | 0.021 | 0.917 |
Number of reflections | 39653 | ||
<I/σ(I)> | 10.9 | ||
Completeness [%] | 99.0 | 98.6 | 99.2 |
Redundancy | 3.3 | 3.2 | 3.4 |
CC(1/2) | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1M bis-tris pH 5.5, 26% PEG3350 |