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 |