12FG
KRAS G12V in complex with GDP and a macrocyclic inhibitor (Compound 12).
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-17 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.97648 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.164, 52.880, 82.001 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.440 - 1.430 |
| R-factor | 0.1767 |
| Rwork | 0.175 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.501 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.440 | 1.519 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.058 | 0.992 |
| Rmeas | 0.063 | 1.155 |
| Rpim | 0.024 | 0.575 |
| Number of reflections | 30851 | 1543 |
| <I/σ(I)> | 15.6 | 1.1 |
| Completeness [%] | 92.3 | 40.4 |
| Redundancy | 6.8 | 3.8 |
| CC(1/2) | 0.999 | 0.501 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 294 | 25% w/v PEG 4K, 0.2M (NH4)2SO4, 0.1M Na Acetate pH 4.6 |
