5VP7
Crystal structure of human KRAS G12A mutant in complex with GDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-11-29 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | H 3 |
| Unit cell lengths | 93.773, 93.773, 119.918 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.070 - 1.700 |
| R-factor | 0.1727 |
| Rwork | 0.171 |
| R-free | 0.20670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i8g |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.615 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.120 | 28.120 | 1.790 |
| High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
| Rmerge | 0.082 | 0.033 | 0.873 |
| Rmeas | 0.090 | 0.037 | 0.037 |
| Rpim | 0.038 | 0.015 | 0.016 |
| Total number of observations | 247335 | 7574 | 35609 |
| Number of reflections | 43235 | ||
| <I/σ(I)> | 10.8 | 26.6 | 1.8 |
| Completeness [%] | 99.9 | 97.6 | 100 |
| Redundancy | 5.7 | 5.7 | 5.6 |
| CC(1/2) | 0.998 | 0.998 | 0.729 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.2 mol L-1 sodium acetate, 0.1 mol L-1 Tris pH 8.5, 26% PEG 3,350 |
