7OO7
KRasG12C ligand complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.289, 72.012, 65.821 |
| Unit cell angles | 90.00, 90.32, 90.00 |
Refinement procedure
| Resolution | 48.580 - 1.480 |
| R-factor | 0.1916 |
| Rwork | 0.190 |
| R-free | 0.22580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7o70 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.882 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 1.510 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.040 | 0.480 |
| Number of reflections | 33934 | 108 |
| <I/σ(I)> | 12.2 | |
| Completeness [%] | 70.1 | |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 50mM HEPES 100mM NaCl 2mM MgSO4 |
