6WS2
Crystal structure of KRAS-K104Q mutant, GDP-bound
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 | 2019-08-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979180 |
Spacegroup name | P 3 |
Unit cell lengths | 84.560, 84.560, 88.360 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.180 - 1.590 |
R-factor | 0.1823 |
Rwork | 0.182 |
R-free | 0.19540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5us4 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.372 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.180 | 44.180 | 1.690 |
High resolution limit [Å] | 1.590 | 4.750 | 1.590 |
Rmerge | 0.076 | 0.056 | 0.717 |
Rmeas | 0.085 | 0.062 | 0.803 |
Total number of observations | 479681 | ||
Number of reflections | 94111 | 3523 | 15241 |
<I/σ(I)> | 11.33 | 25.05 | 2.01 |
Completeness [%] | 99.7 | 99 | 99.8 |
Redundancy | 5.097 | 5.112 | 5.116 |
CC(1/2) | 0.997 | 0.997 | 0.755 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris pH 8.5 and 2 M ammonium sulfate |