9YMP
Crystal Structure of human KRAS G12D 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 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00002 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.940, 50.663, 92.145 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.120 |
| R-factor | 0.18574 |
| Rwork | 0.185 |
| R-free | 0.19574 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.320 |
| Data reduction software | XDS (v2022) |
| Data scaling software | XDS (v2022) |
| Phasing software | MOLREP (11.7.03) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.190 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rmerge | 0.058 | 0.239 |
| Number of reflections | 133207 | 18553 |
| <I/σ(I)> | 17.04 | 4.86 |
| Completeness [%] | 95.9 | 82.5 |
| Redundancy | 6.5 | 5.3 |
| CC(1/2) | 0.999 | 0.960 |
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 |
