5US4
Crystal structure of human KRAS G12D mutant in complex with GDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-07 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 93.822, 93.822, 121.352 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.525 - 1.830 |
| R-factor | 0.1659 |
| Rwork | 0.164 |
| R-free | 0.20050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.791 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1685) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.048 | 0.239 |
| Number of reflections | 33643 | |
| <I/σ(I)> | 19.2 | 3.7 |
| Completeness [%] | 95.7 | 97.2 |
| Redundancy | 2.8 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.1 | 293 | 0.2 M sodium phosphate dibasic, 20% w/v PEG3350, pH 9.1 |
