7T47
KRAS G12D (GppCp) with MRTX-1133
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.311, 50.579, 92.903 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.450 - 1.270 |
R-factor | 0.1533 |
Rwork | 0.152 |
R-free | 0.17240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7rpz |
RMSD bond length | 0.016 |
RMSD bond angle | 1.621 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.452 | 1.315 |
High resolution limit [Å] | 1.270 | 1.270 |
Rmerge | 0.043 | 0.186 |
Rpim | 0.018 | 0.079 |
Number of reflections | 48107 | 27847 |
<I/σ(I)> | 26.3 | |
Completeness [%] | 94.5 | 88.63 |
Redundancy | 6.5 | |
CC(1/2) | 0.999 | 0.984 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Bis-Tris, pH 5.5, 0.1 M sodium acetate, 8% v/v isopropanol, 22% PEG4000 |