8TY9
KRAS 1-169 G12C Mutant at 313k
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 313 |
Detector technology | PIXEL |
Collection date | 2022-11-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.423, 41.740, 92.144 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.930 - 1.430 |
R-factor | 0.1929 |
Rwork | 0.192 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.142 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.930 | 1.450 |
High resolution limit [Å] | 1.426 | 1.426 |
Rmerge | 0.183 | 4.788 |
Number of reflections | 29134 | 1423 |
<I/σ(I)> | 6.6 | |
Completeness [%] | 100.0 | |
Redundancy | 9.4 | |
CC(1/2) | 0.997 | 0.404 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 200mM Na Acetate pH 3.6 100mM Tris pH 8.5 20% PEG 3350 1mM DTT |