9YMQ
Crystal Structure of human KRAS G12V in complex with GDP and AM-2383
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.265, 53.657, 87.917 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.200 |
| R-factor | 0.19342 |
| Rwork | 0.192 |
| R-free | 0.21218 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.416 |
| 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 | 0.080 | 0.157 |
| Number of reflections | 113385 | 17673 |
| <I/σ(I)> | 11.13 | 5.14 |
| Completeness [%] | 98.4 | 94.6 |
| Redundancy | 3.7 | 3 |
| CC(1/2) | 0.990 | 0.957 |
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 |
