6GOG
KRAS-169 Q61H GPPNHP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-01-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.565, 118.748, 156.595 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.470 - 2.050 |
| R-factor | 0.17221 |
| Rwork | 0.171 |
| R-free | 0.19061 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gft |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.574 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.600 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.140 | 0.340 |
| Rmeas | 0.180 | 0.430 |
| Rpim | 0.070 | 0.210 |
| Number of reflections | 74311 | 4062 |
| <I/σ(I)> | 23.7 | 4.3 |
| Completeness [%] | 98.8 | 89.7 |
| Redundancy | 10.8 | 6.1 |
| CC(1/2) | 0.888 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate |
