5VQ6
Crystal structure of human WT-KRAS 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 | 95.117, 95.117, 121.417 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.170 - 1.990 |
| R-factor | 0.1915 |
| Rwork | 0.190 |
| R-free | 0.22140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.449 |
| 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] | 68.170 | 68.170 | 2.100 |
| High resolution limit [Å] | 1.990 | 6.290 | 1.990 |
| Rmerge | 0.132 | 0.036 | 0.874 |
| Rmeas | 0.145 | 0.051 | 0.040 |
| Rpim | 0.060 | 0.021 | 0.017 |
| Total number of observations | 163070 | 4675 | 23746 |
| Number of reflections | 28089 | ||
| <I/σ(I)> | 11.4 | 32 | 2.5 |
| Completeness [%] | 99.9 | 97.7 | 100 |
| Redundancy | 5.8 | 5.3 | 5.8 |
| CC(1/2) | 0.996 | 0.999 | 0.755 |
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 |
