8QUG
KRAS-G12C in Complex with Compound 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-26 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.972422 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 91.021, 91.021, 52.737 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.560 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
Data reduction software | autoPROC |
Data scaling software | autoPROC ((Version 1.1.7)) |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.362 | 1.654 |
High resolution limit [Å] | 1.560 | 1.562 |
Rmerge | 0.041 | 1.622 |
Number of reflections | 26183 | 619 |
<I/σ(I)> | 26.2 | 1.4 |
Completeness [%] | 81.9 | 26.4 |
Redundancy | 12.6 | 11.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 25% PEG3350, 0.1 M BisTris, 0.27M NH4Ac |