7JUR
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Trametinib
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] | 100 |
Detector technology | CCD |
Collection date | 2018-08-19 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.98 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 140.000, 140.000, 222.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.895 - 2.820 |
Rwork | 0.237 |
R-free | 0.27740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y4i |
RMSD bond length | 0.007 |
RMSD bond angle | 1.085 |
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 | 2.890 |
High resolution limit [Å] | 2.820 | 2.820 |
Number of reflections | 31255 | 2270 |
<I/σ(I)> | 15.87 | 2.53 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.7 | |
CC(1/2) | 0.999 | 0.520 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 12% PEG-3350, 100 mM MES pH 6.25, 200 mM Magnesium Acetate |