9BL0
KRAS G12D Mutant KRAS 1-169 at 298 K bound to MRTX-1133
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE 7B2 |
| Synchrotron site | CHESS |
| Beamline | 7B2 |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2023-10-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | H 3 |
| Unit cell lengths | 75.361, 75.361, 203.864 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.170 - 1.660 |
| R-factor | 0.1794 |
| Rwork | 0.179 |
| R-free | 0.19470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.445 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmeas | 0.111 | 1.205 |
| Rpim | 0.049 | 0.770 |
| Number of reflections | 49291 | 4322 |
| <I/σ(I)> | 3.7 | |
| Completeness [%] | 95.7 | |
| Redundancy | 4.6 | |
| CC(1/2) | 0.986 | 0.204 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 24% PEG 8000,100 mM Sodium Citrate, 100 mM Ammonium Acetate pH 5.0 |
