4LUC
Crystal Structure of small molecule disulfide 6 bound to K-Ras G12C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 |
Unit cell lengths | 32.822, 39.083, 62.457 |
Unit cell angles | 77.86, 81.54, 77.55 |
Refinement procedure
Resolution | 19.370 - 1.290 |
R-factor | 0.1522 |
Rwork | 0.152 |
R-free | 0.16940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.928 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (dev_1402) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.310 |
High resolution limit [Å] | 1.290 | 1.290 |
Rmerge | 0.065 | 0.279 |
Number of reflections | 70575 | |
<I/σ(I)> | 13.09 | 4.411 |
Completeness [%] | 95.2 | 91.3 |
Redundancy | 3.8 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 25% PEG8000, 0.1M CaCl2, 0.1M TRIS, pH 7.5, vapor diffusion, hanging drop, temperature 293K |