6SCM
SOS1 in Complex with Inhibitor BI-3406
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-08-08 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.007, 78.740, 168.924 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 84.460 - 1.866 |
R-factor | 0.2 |
Rwork | 0.199 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.462 | 1.981 |
High resolution limit [Å] | 1.866 | 1.866 |
Rmerge | 0.132 | |
Rpim | 0.044 | 0.694 |
Number of reflections | 34879 | 1744 |
<I/σ(I)> | 12 | |
Completeness [%] | 80.6 | |
Redundancy | 9.6 | |
CC(1/2) | 0.998 | 0.342 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 13% PEG8000, 0.1M Imidazole pH=8.0 |