6GJ7
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-26 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00003 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 41.790, 116.672, 91.802 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.670 |
| R-factor | 0.227 |
| Rwork | 0.226 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4epv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS ((VERSION May 1) |
| Data scaling software | autoPROC ((Version 1.1.7)) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.336 | 1.932 |
| High resolution limit [Å] | 1.670 | 1.925 |
| Rmerge | 0.186 | |
| Number of reflections | 20772 | |
| <I/σ(I)> | 9.9 | 2.1 |
| Completeness [%] | 100.0 | 88.4 |
| Redundancy | 6.4 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | Molecular Dimensions Morpheus Screen with 30% Precipitant Mix1, 0.1M Morpheus buffer system 2 pH 7.5 and 10% nitrate phosphate sulfate mix |
