9YMR
Crystal Structure of human KRAS G12V in complex with GMPPCP and AM-2383
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-09 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.97741 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.971, 50.633, 91.918 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.200 |
| R-factor | 0.18073 |
| Rwork | 0.180 |
| R-free | 0.19383 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.332 |
| Data reduction software | XDS (v2015) |
| Data scaling software | XDS (v2015) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.270 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.038 | 0.171 |
| Number of reflections | 110797 | 16486 |
| <I/σ(I)> | 26.49 | 6.23 |
| Completeness [%] | 98.1 | 90.3 |
| Redundancy | 6.2 | 3.6 |
| CC(1/2) | 0.999 | 0.962 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 200mM ammonium sulfate, 100mM sodium acetate, 30% PEG 4000 |
