6MXE
Crystal structure of human STING (G230A, H232R, R293Q) in complex with Compound 18
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 69.850, 77.910, 124.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.010 - 2.470 |
R-factor | 0.199 |
Rwork | 0.196 |
R-free | 0.24800 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
Data scaling software | Aimless (0.5.28) |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.010 | 2.478 |
High resolution limit [Å] | 2.470 | 2.470 |
Rmerge | 0.120 | 0.769 |
Rmeas | 0.130 | 0.826 |
Rpim | 0.051 | 0.325 |
Number of reflections | 11594 | 1789 |
<I/σ(I)> | 12.6 | 2.1 |
Completeness [%] | 92.6 | 98.4 |
Redundancy | 6.3 | 5.9 |
CC(1/2) | 0.996 | 0.765 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 277 | 0.2 M CaCl2 29.0 v/v PEG 400 0.1 M TRIS 0.002 M DTT |