8X6R
KRasG12C in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2017-02-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.525, 94.909, 96.199 |
| Unit cell angles | 90.00, 91.11, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.850 |
| R-factor | 0.2548 |
| Rwork | 0.253 |
| R-free | 0.29936 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.942 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.482 | |
| Rmeas | 0.075 | 0.574 |
| Rpim | 0.309 | |
| Number of reflections | 103763 | 5168 |
| <I/σ(I)> | 5.2 | |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.807 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | MES, ammonium sulfate, PEG550MME |
