7JUU
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor PD0325901
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] | 80 |
Detector technology | PIXEL |
Collection date | 2017-09-13 |
Detector | DECTRIS EIGER2 X 9M |
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 | 30.027 - 3.190 |
R-factor | 0.242 |
Rwork | 0.241 |
R-free | 0.25760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y4i |
RMSD bond length | 0.003 |
RMSD bond angle | 0.574 |
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 | 3.270 |
High resolution limit [Å] | 3.190 | 3.190 |
Number of reflections | 21556 | 1549 |
<I/σ(I)> | 17.7 | |
Completeness [%] | 99.8 | |
Redundancy | 10.95 | |
CC(1/2) | 0.999 | 0.482 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 2000, MES, pH 6.5, Magnesium acetate |