8AFD
CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.999882 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 94.891, 98.614, 148.116 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.560 - 1.633 |
R-factor | 0.2325 |
Rwork | 0.231 |
R-free | 0.26540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7U90 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.950 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8 (3-FEB-2022)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.058 | 1.853 |
High resolution limit [Å] | 1.633 | 1.633 |
Rmerge | 0.118 | 1.187 |
Number of reflections | 47959 | 2399 |
<I/σ(I)> | 12.1 | 1.8 |
Completeness [%] | 55.7 | 8.9 |
Redundancy | 12.6 | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 297 | 100mM PCB pH 5.9, 20% PEG 1500 |