7O83
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 | 2017-03-01 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 33.509, 39.227, 65.721 |
Unit cell angles | 96.39, 95.01, 103.15 |
Refinement procedure
Resolution | 37.850 - 2.380 |
R-factor | 0.2261 |
Rwork | 0.223 |
R-free | 0.29080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | na |
RMSD bond length | 0.010 |
RMSD bond angle | 1.852 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.000 | 2.440 |
High resolution limit [Å] | 2.380 | 2.380 |
Rmerge | 0.030 | 0.550 |
Number of reflections | 11933 | 853 |
<I/σ(I)> | 10.1 | |
Completeness [%] | 97.4 | |
Redundancy | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50mM HEPES, 100mM NaCl, 2mM MgSO4 |