9XAM
The crystal structure of KRAS G12D (GDP bound) in complex with RP03514
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-06 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.048, 53.329, 87.911 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.600 - 1.230 |
| R-factor | 0.1821 |
| Rwork | 0.181 |
| R-free | 0.19960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.979 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.603 | 1.248 |
| High resolution limit [Å] | 1.227 | 1.227 |
| Number of reflections | 49597 | 1369 |
| <I/σ(I)> | 29.9 | |
| Completeness [%] | 88.8 | 49.9 |
| Redundancy | 10.3 | |
| CC(1/2) | 0.999 | 0.752 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 20%~30% PEG 8000, 200 mM ammonium acetate, 100 mM Tri-sodium citrate pH 4.2, |
