5VPI
Crystal structure of human KRAS G12A mutant in complex with GTP
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 | 2017-04-05 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | H 3 |
| Unit cell lengths | 94.792, 94.792, 121.480 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.020 - 1.620 |
| R-factor | 0.1877 |
| Rwork | 0.186 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.606 |
| 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] | 68.020 | 28.483 | 1.710 |
| High resolution limit [Å] | 1.620 | 5.120 | 1.620 |
| Rmerge | 0.026 | 0.889 | |
| Rmeas | 0.099 | 0.036 | 1.116 |
| Rpim | 0.042 | 0.015 | 0.477 |
| Number of reflections | 51590 | ||
| <I/σ(I)> | 9.2 | 23.8 | 0.9 |
| Completeness [%] | 99.7 | 92.1 | 100 |
| Redundancy | 5.6 | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.2 mol/L sodium acetate, 0.1 mol/L Tris pH 8.5, 24% PEG 3,350 |
