8STH
human STING with diABZI agonist 15
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 112.550, 112.550, 36.195 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 79.580 - 1.970 |
R-factor | 0.20885 |
Rwork | 0.204 |
R-free | 0.24652 |
Structure solution method | MIR |
RMSD bond length | 0.014 |
RMSD bond angle | 1.640 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 79.580 | 79.580 | 2.220 |
High resolution limit [Å] | 1.970 | 13.030 | 1.970 |
Rmerge | 0.059 | 0.027 | 0.445 |
Rmeas | 0.067 | 0.033 | 0.505 |
Number of reflections | 16735 | 73 | 4960 |
<I/σ(I)> | 14.66 | ||
Completeness [%] | 98.3 | ||
Redundancy | 4.3 | ||
CC(1/2) | 0.999 | 0.998 | 0.906 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350; ammonium tartrate |