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 |