8ORW
Crystal structure of human STING in complex with the agonist MD1203
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.442, 78.145, 35.937 |
Unit cell angles | 90.00, 97.44, 90.00 |
Refinement procedure
Resolution | 44.340 - 2.950 |
R-factor | 0.2205 |
Rwork | 0.219 |
R-free | 0.24890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.529 |
Data reduction software | XDS (xdsapp 3.1.9) |
Data scaling software | XDS (xdsapp 3.1.9) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.340 | 3.055 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.385 | 2.025 |
Rmeas | 0.418 | 2.197 |
Rpim | 0.161 | 0.841 |
Number of reflections | 4988 | 494 |
<I/σ(I)> | 6.43 | 0.77 |
Completeness [%] | 95.1 | 93.23 |
Redundancy | 6.4 | 6.4 |
CC(1/2) | 0.985 | 0.455 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% w/v PEG 8.000; 200 mM lithium chloride; 100 mM Tris, pH 8.0 |