7A1Y
KRASG12C GDP form in complex with Cpd2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976251 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 91.754, 91.754, 120.763 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.080 - 2.004 |
| R-factor | 0.1898 |
| Rwork | 0.189 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | internal model |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.080 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.082 | 0.368 |
| Number of reflections | 12999 | 1899 |
| <I/σ(I)> | 11.9 | 3.1 |
| Completeness [%] | 97.9 | 99 |
| Redundancy | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | HEPES 100mM - (NH4)2SO4 2.25M - pH7.5 |
