8QW6
Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2019-05-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.00002 |
Spacegroup name | P 1 |
Unit cell lengths | 70.207, 72.298, 80.794 |
Unit cell angles | 112.25, 100.61, 100.57 |
Refinement procedure
Resolution | 46.370 - 2.200 |
R-factor | 0.257 |
Rwork | 0.255 |
R-free | 0.29490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.025 |
RMSD bond angle | 2.057 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.300 | 2.455 |
High resolution limit [Å] | 2.200 | 2.210 |
Rmeas | 0.024 | |
Rpim | 0.040 | 0.331 |
Number of reflections | 39191 | 1960 |
<I/σ(I)> | 7.4 | |
Completeness [%] | 82.3 | |
Redundancy | 2.5 | |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 200 mM sodium citrate, 100 mM BIS-TRIS propane pH 8.5, 20% w/v polyethylene glycol 3350 |