8AQ7
KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.99998 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.408, 64.791, 132.621 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.400 - 1.650 |
| R-factor | 0.2135 |
| Rwork | 0.211 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7r0m |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (3-FEB-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.310 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.039 | 0.621 |
| Number of reflections | 45907 | 3360 |
| <I/σ(I)> | 24.48 | 2.85 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.49 | 6.65 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30 % PEG 4000, 0.1 M Tris pH 8.5, 0.2 M MgCl2 |
