7RP4
Crystal structure of KRAS G12C in complex with GNE-1952
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2016-02-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 33.586, 43.985, 65.305 |
| Unit cell angles | 88.97, 84.94, 80.01 |
Refinement procedure
| Resolution | 36.010 - 2.150 |
| R-factor | 0.2152 |
| Rwork | 0.213 |
| R-free | 0.25260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dsu |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.497 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.8) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12-2829_final) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.010 | 36.010 | 2.270 |
| High resolution limit [Å] | 2.150 | 6.800 | 2.150 |
| Rmerge | 0.118 | 0.035 | 0.658 |
| Rmeas | 0.136 | 0.041 | 0.762 |
| Rpim | 0.068 | 0.021 | 0.384 |
| Total number of observations | 2203 | 10294 | |
| Number of reflections | 35318 | 561 | 2644 |
| <I/σ(I)> | 8.4 | 26.2 | 2.1 |
| Completeness [%] | 89.2 | 88.6 | 90.5 |
| Redundancy | 3.9 | 3.9 | 3.9 |
| CC(1/2) | 0.995 | 0.998 | 0.854 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.10% n-Octyl-B-D-glucoside, 0.1 M sodium citrate pH 5.5, 22% PEG 3350 |
