7ACA
CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999989 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.264, 67.185, 71.435 |
| Unit cell angles | 90.00, 96.47, 90.00 |
Refinement procedure
| Resolution | 22.990 - 1.570 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6quu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.820 | 1.576 |
| High resolution limit [Å] | 1.000 | 1.571 |
| Rmerge | 0.052 | |
| Rmeas | 0.068 | |
| Number of reflections | 88922 | 6403 |
| <I/σ(I)> | 11.6 | 2 |
| Completeness [%] | 97.9 | 92.1 |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 1.000 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294 | Morpheus Screen D12 Morpheus Alcohol 10% Morpheus Buffer 3 MPD_P1K_P3350 37.5% w/v |
