8TXH
Crystal structure of KRAS G12D in complex with GDP and compound 14
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2021-12-14 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.475, 62.392, 72.132 |
Unit cell angles | 90.00, 91.86, 90.00 |
Refinement procedure
Resolution | 29.640 - 1.200 |
R-factor | 0.1911 |
Rwork | 0.190 |
R-free | 0.20330 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.970 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.640 | 1.230 |
High resolution limit [Å] | 1.200 | 1.200 |
Number of reflections | 89215 | 4461 |
<I/σ(I)> | 8.9 | |
Completeness [%] | 87.8 | |
Redundancy | 4 | |
CC(1/2) | 0.998 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 286.15 | 0.1 M Sodium Acetate pH 4.5, 40% PEG 400 |