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 |