7F0W
Crystal structure of KRAS-G12D bound to GDP with switch 1 open conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2021-04-25 |
| Detector | AGILENT EOS CCD |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 78.315, 78.315, 55.929 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.760 - 1.390 |
| R-factor | 0.1717 |
| Rwork | 0.171 |
| R-free | 0.18960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4obe |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.455 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.000 | 1.390 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.118 | 0.945 |
| Rmeas | 0.123 | 0.982 |
| Rpim | 0.039 | 0.259 |
| Number of reflections | 43707 | 3086 |
| <I/σ(I)> | 11.25 | 1.4 |
| Completeness [%] | 99.6 | 92.9 |
| Redundancy | 18.7 | |
| CC(1/2) | 0.997 | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 298 | 1.0 M sodium citrate, 0.1M Tris pH 7.0, 0.2M NaCl |
