6T5B
KRasG12C ligand complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 |
Unit cell lengths | 32.973, 36.569, 37.129 |
Unit cell angles | 65.49, 74.17, 77.61 |
Refinement procedure
Resolution | 31.510 - 1.370 |
R-factor | 0.1857 |
Rwork | 0.183 |
R-free | 0.23070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in house structure |
RMSD bond length | 0.024 |
RMSD bond angle | 2.160 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.000 | 1.400 |
High resolution limit [Å] | 1.370 | 1.370 |
Rmerge | 0.028 | 0.048 |
Number of reflections | 19371 | 97 |
<I/σ(I)> | 12.1 | |
Completeness [%] | 61.0 | |
Redundancy | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50mM HEPES pH 7.4, 100mM NaCl, 2mM MgSO4 |