7JUY
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Cobimetinib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2018-08-19 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 136.000, 136.000, 219.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.648 - 3.096 |
R-factor | 0.248 |
Rwork | 0.247 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y4i |
RMSD bond length | 0.006 |
RMSD bond angle | 1.089 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14rc1_3177)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.648 | 3.180 |
High resolution limit [Å] | 3.096 | 3.100 |
Number of reflections | 22409 | 1608 |
<I/σ(I)> | 20.04 | |
Completeness [%] | 99.9 | |
Redundancy | 11.95 | |
CC(1/2) | 1.000 | 0.519 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 2000, MES, pH 6.5, Magnesium acetate |