6ZLI
CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-05 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.541800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.642, 73.164, 54.194 |
| Unit cell angles | 90.00, 103.15, 90.00 |
Refinement procedure
| Resolution | 42.800 - 1.730 |
| R-factor | 0.1805 |
| Rwork | 0.178 |
| R-free | 0.22030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gj8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.920 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC (1.1.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.791 | 1.862 |
| High resolution limit [Å] | 1.730 | 1.747 |
| Rmerge | 0.051 | |
| Number of reflections | 23941 | 1197 |
| <I/σ(I)> | 15.6 | 1.8 |
| Completeness [%] | 80.7 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.620 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 278 | 51.8% MPD 50mM MES PH= 6.4 |
