6GQW
KRAS-169 Q61H GPPNHP + CH-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.484, 118.538, 156.527 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 94.500 - 2.800 |
R-factor | 0.18924 |
Rwork | 0.187 |
R-free | 0.22357 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gft |
RMSD bond length | 0.010 |
RMSD bond angle | 1.362 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 94.500 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.146 | 0.830 |
Rmeas | 0.169 | |
Rpim | 0.084 | 0.475 |
Number of reflections | 27994 | 4121 |
<I/σ(I)> | 12.3 | |
Completeness [%] | 92.9 | 95.8 |
Redundancy | 7.3 | 7.2 |
CC(1/2) | 0.990 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 8-15% w/v Polyethylene glycol 3350 and 0.2M Lithium citrate |