5VPZ
Crystal structure of human KRAS G12A mutant in complex with GTP-gamma-S
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 | 94.937, 94.937, 121.016 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.739 - 1.850 |
| R-factor | 0.1889 |
| Rwork | 0.187 |
| R-free | 0.23450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.416 |
| 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] | 34.000 | 34.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 5.850 | 1.850 |
| Rmerge | 0.096 | 0.027 | 0.766 |
| Rmeas | 0.106 | 0.042 | 0.031 |
| Rpim | 0.045 | 0.018 | 0.013 |
| Total number of observations | 190389 | 5689 | 27444 |
| Number of reflections | 34666 | ||
| <I/σ(I)> | 9.5 | 24.1 | 2.1 |
| Completeness [%] | 99.8 | 95.3 | 100 |
| Redundancy | 5.5 | 5.4 | 5.4 |
| CC(1/2) | 0.996 | 0.999 | 0.652 |
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 |
