6H46
Human KRAS in complex with darpin K13
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 | 2014-05-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.295, 79.295, 130.025 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.590 - 2.220 |
| R-factor | 0.18545 |
| Rwork | 0.183 |
| R-free | 0.23039 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.294 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.500 | 2.280 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.096 | 0.653 |
| Rpim | 0.039 | 0.277 |
| Number of reflections | 21240 | 1532 |
| <I/σ(I)> | 20.9 | 0.885 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 13.1 | 12.1 |
| CC(1/2) | 0.999 | 0.885 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.5-1.0M lithium sulfate 0.5-1.0M ammonium sulfate 100mM tri-sodium citrate pH5.5 |
