5W22
Crystal structure of human WT-KRAS 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 | 2017-02-08 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | H 3 |
| Unit cell lengths | 93.177, 93.177, 118.431 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.536 - 1.762 |
| R-factor | 0.1787 |
| Rwork | 0.177 |
| R-free | 0.20450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.452 |
| 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] | 29.536 | 29.536 | 1.860 |
| High resolution limit [Å] | 1.762 | 5.570 | 1.762 |
| Rmerge | 0.049 | 0.936 | |
| Rmeas | 0.196 | 0.060 | 1.133 |
| Rpim | 0.082 | 0.026 | 0.475 |
| Total number of observations | 217203 | ||
| Number of reflections | 37841 | ||
| <I/σ(I)> | 7.5 | 12.2 | 0.7 |
| Completeness [%] | 99.9 | 96.4 | 100 |
| Redundancy | 5.7 | 5.6 | 5.7 |
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 4,000 |
