6CU6
Crystal structure of GMPPNP-bound G12R mutant of human KRAS4b
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 | 2017-08-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 67.790, 83.295, 86.040 |
Unit cell angles | 90.00, 110.10, 90.00 |
Refinement procedure
Resolution | 50.580 - 1.500 |
R-factor | 0.2031 |
Rwork | 0.202 |
R-free | 0.22960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | GMPPNP-bound KRAS4B |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.580 | 50.580 | 1.590 |
High resolution limit [Å] | 1.500 | 4.470 | 1.500 |
Rmerge | 0.048 | 0.036 | 0.873 |
Rmeas | 0.061 | 0.046 | 1.129 |
Total number of observations | 317030 | ||
Number of reflections | 70088 | 5043 | 21255 |
<I/σ(I)> | 8.93 | 24.05 | 0.91 |
Completeness [%] | 95.5 | 94.6 | 92 |
Redundancy | 2.325 | 2.34 | 2.28 |
CC(1/2) | 0.997 | 0.995 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 2.1 M Sodium Malonate pH 7.5, 40 mM Dimethyloctylphosphine oxide |