8TXG
Crystal structure of KRAS G12D in complex with GDP and compound 8
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 | 2021-06-22 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 2 |
Unit cell lengths | 74.327, 74.327, 202.985 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.280 - 1.500 |
R-factor | 0.1989 |
Rwork | 0.198 |
R-free | 0.22320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.980 |
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] | 19.280 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 31953 | 1599 |
<I/σ(I)> | 11.8 | |
Completeness [%] | 86.2 | |
Redundancy | 6.2 | |
CC(1/2) | 0.999 | 0.477 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 286.15 | 2.0 M Ammonium Sulfate, 15% ethylene glycol, 0.1 M Tris pH 8.5 |