6QUV
Crystal Structure of KRAS-G12D in complex with GMP-PCP and compound 15R
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-19 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.440, 72.203, 54.611 |
Unit cell angles | 90.00, 103.23, 90.00 |
Refinement procedure
Resolution | 36.980 - 1.475 |
R-factor | 0.194 |
Rwork | 0.193 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | XDS ((VERSION Jan 26) |
Data scaling software | autoPROC ((Version 1.1.7)) |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.162 | 1.574 |
High resolution limit [Å] | 1.475 | 1.475 |
Rmerge | 0.044 | 0.773 |
Number of reflections | 43902 | |
<I/σ(I)> | 14.4 | 1.5 |
Completeness [%] | 81.3 | 22.9 |
Redundancy | 3.3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.4 | 277 | 52% MPD, 0.06 M MES |