7KP6
Structure of Ack1 kinase in complex with a selective inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-26 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.92009 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.016, 42.819, 92.623 |
Unit cell angles | 90.00, 99.65, 90.00 |
Refinement procedure
Resolution | 41.564 - 1.790 |
R-factor | 0.1792 |
Rwork | 0.178 |
R-free | 0.20330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hzr |
RMSD bond length | 0.004 |
RMSD bond angle | 0.770 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.690 | 1.624 |
High resolution limit [Å] | 1.444 | 1.444 |
Rmerge | 0.062 | 0.531 |
Rmeas | 0.074 | |
Number of reflections | 129549 | 3138 |
<I/σ(I)> | 9.9 | 1.6 |
Completeness [%] | 94.4 | 78.7 |
Redundancy | 3.3 | 2.3 |
CC(1/2) | 0.997 | 0.650 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 298 | 50mM Bis-Tris (pH 6.5), 23 % (w/v) polyethylene glycol 3350, 100 mM MgCl2, and 2.5% Glycerol |