7JUS
Crystal Structure of KSR2: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 | 2018-06-09 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 140.000, 140.000, 220.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.724 - 2.990 |
R-factor | 0.2486 |
Rwork | 0.248 |
R-free | 0.26490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y4i |
RMSD bond length | 0.013 |
RMSD bond angle | 1.813 |
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] | 50.000 | 3.070 |
High resolution limit [Å] | 2.990 | 2.990 |
Number of reflections | 28132 | 25108 |
<I/σ(I)> | 22.26 | |
Completeness [%] | 99.9 | |
Redundancy | 11.98 | |
CC(1/2) | 1.000 | 0.512 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 2000, MES, pH 6.5, Magnesium acetate |