6GOM
KRAS-169 Q61H GPPNHP + PPIN-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.180, 119.840, 158.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.130 - 1.630 |
| R-factor | 0.18673 |
| Rwork | 0.186 |
| R-free | 0.20684 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gft |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.939 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.130 | 1.670 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.088 | 1.760 |
| Rmeas | 0.088 | 1.860 |
| Rpim | 0.025 | 0.620 |
| Number of reflections | 152914 | 7534 |
| <I/σ(I)> | 15.9 | |
| Completeness [%] | 100.0 | 99.3 |
| Redundancy | 12.4 | 9 |
| CC(1/2) | 1.000 | 0.500 |
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 |
