7OO7
KRasG12C ligand complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 33.289, 72.012, 65.821 |
Unit cell angles | 90.00, 90.32, 90.00 |
Refinement procedure
Resolution | 48.580 - 1.480 |
R-factor | 0.1916 |
Rwork | 0.190 |
R-free | 0.22580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7o70 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.882 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 1.510 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.040 | 0.480 |
Number of reflections | 33934 | 108 |
<I/σ(I)> | 12.2 | |
Completeness [%] | 70.1 | |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 50mM HEPES 100mM NaCl 2mM MgSO4 |