7A1X
KRASG12C GDP form in complex with Cpd1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.070, 40.690, 91.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.080 - 1.320 |
| Rwork | 0.148 |
| R-free | 0.17390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in-house model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.760 | 1.360 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.045 | 0.077 |
| Number of reflections | 35010 | 2516 |
| <I/σ(I)> | 26.3 | 14.4 |
| Completeness [%] | 99.8 | 97.5 |
| Redundancy | 6.2 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | TRIS 100mM - PEG 4K 23% - Na Acet 100mM - pH8.5 |
