8AQ5
KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16
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 | 2022-02-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000323 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.105, 40.324, 52.292 |
Unit cell angles | 90.00, 100.95, 90.00 |
Refinement procedure
Resolution | 37.690 - 1.800 |
R-factor | 0.1774 |
Rwork | 0.175 |
R-free | 0.21510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7r0q |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
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] | 45.270 | 1.670 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.053 | 0.316 |
Number of reflections | 18097 | 905 |
<I/σ(I)> | 13.5 | 2.4 |
Completeness [%] | 78.8 | 32.4 |
Redundancy | 4.1 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG 3350, 0.1 M sodium acetate |