7JV1
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor APS-9-95-1
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 | 2019-11-10 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 137.000, 137.000, 221.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.200 - 3.620 |
| R-factor | 0.2781 |
| Rwork | 0.277 |
| R-free | 0.30330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y4i |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.875 |
| 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] | 49.000 | 3.710 |
| High resolution limit [Å] | 3.620 | 3.620 |
| Number of reflections | 13701 | 1006 |
| <I/σ(I)> | 16.46 | |
| Completeness [%] | 93.7 | |
| Redundancy | 12.55 | |
| CC(1/2) | 1.000 | 0.496 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 2000, MES, pH 6.5, Magnesium acetate |
