8G9Q
Tricomplex of Compound-1, KRAS G12C, and CypA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 67.159, 100.689, 47.776 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.310 - 1.400 |
R-factor | 0.1878 |
Rwork | 0.186 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.773 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.310 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.075 | 1.026 |
Rmeas | 0.081 | 1.117 |
Rpim | 0.031 | 0.434 |
Number of reflections | 63411 | 6055 |
<I/σ(I)> | 9.31 | 1 |
Completeness [%] | 98.0 | 95.19 |
Redundancy | 6.6 | 6.3 |
CC(1/2) | 0.998 | 0.749 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 22% PEG 3350, 100 mM NaCl, 100 mM Bis-Tris pH 5.5 |