7A1W
KRASG12C GDP form in complex with Cpd3
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 | 2014-09-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97857 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 38.550, 38.550, 186.070 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.390 - 1.760 |
Rwork | 0.200 |
R-free | 0.23650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | internal model |
RMSD bond length | 0.010 |
RMSD bond angle | 0.970 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.520 | 1.800 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.076 | 0.651 |
Number of reflections | 16891 | 1138 |
<I/σ(I)> | 11.7 | 2.1 |
Completeness [%] | 99.6 | 96 |
Redundancy | 4.9 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | PEG 3350 20% - Na2HPO4 200mM - pH7 |