6GJ6
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-09-19 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 63 |
| Unit cell lengths | 85.890, 85.890, 47.525 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.190 - 1.761 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.190 | 1.824 |
| High resolution limit [Å] | 1.761 | 1.761 |
| Rmerge | 0.066 | |
| Number of reflections | 18617 | |
| <I/σ(I)> | 21.2 | |
| Completeness [%] | 93.3 | |
| Redundancy | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 20% PEG3350, 0.2M ammonium nitrate |
