7MDP
KRas G12C in complex with G-2897
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2019-12-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 149.365, 68.919, 100.543 |
Unit cell angles | 90.00, 114.29, 90.00 |
Refinement procedure
Resolution | 37.902 - 1.960 |
R-factor | 0.1966 |
Rwork | 0.195 |
R-free | 0.22880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6XC8 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.849 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12-2829_final) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.902 | 2.180 |
High resolution limit [Å] | 1.960 | 2.070 |
Rmerge | 0.069 | 1.640 |
Rmeas | 0.083 | 1.950 |
Rpim | 0.045 | 1.043 |
Total number of observations | 28439 | |
Number of reflections | 75922 | 8279 |
<I/σ(I)> | 10.2 | 0.8 |
Completeness [%] | 99.4 | 99.8 |
Redundancy | 3.3 | 3.4 |
CC(1/2) | 0.999 | 0.400 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.1 M MES pH 6.0, 21 % PEG 4K and 0.2 M lithium sulfate |