8B78
KRasG12C ligand complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97948 |
Spacegroup name | H 3 2 |
Unit cell lengths | 94.360, 94.360, 122.470 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 67.980 - 1.110 |
R-factor | 0.2243 |
Rwork | 0.224 |
R-free | 0.23570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o83 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.980 | 1.170 |
High resolution limit [Å] | 1.110 | 1.110 |
Rmerge | 0.080 | |
Rmeas | 0.090 | |
Number of reflections | 66898 | 700 |
<I/σ(I)> | 10 | 0.7 |
Completeness [%] | 85.0 | |
Redundancy | 7.2 | |
CC(1/2) | 0.997 | 0.372 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350 LITHIUM SULFATE |