7A47
KRASG12C GDP form in complex with Cpd4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976256 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 110.330, 110.330, 116.970 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.730 - 2.160 |
| Rwork | 0.193 |
| R-free | 0.20770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7a1x |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.730 | 2.220 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.122 | 0.688 |
| Number of reflections | 44756 | 3443 |
| <I/σ(I)> | 13.9 | 3 |
| Completeness [%] | 99.7 | |
| Redundancy | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1.1 M Sodium Citrate pH 6.0 |
