7X9Q
Crystal structure of human STING complexed with compound BSP16
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979183 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 33.649, 54.502, 101.943 |
Unit cell angles | 90.00, 98.40, 90.00 |
Refinement procedure
Resolution | 33.080 - 2.400 |
R-factor | 0.2163 |
Rwork | 0.213 |
R-free | 0.26740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ukm |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.950 | 47.950 | 2.490 |
High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
Rmerge | 0.082 | 0.058 | 0.644 |
Rmeas | 0.102 | 0.074 | 0.786 |
Rpim | 0.059 | 0.044 | 0.445 |
Total number of observations | 357 | 2131 | |
Number of reflections | 12879 | 141 | 737 |
<I/σ(I)> | 8.8 | 19.6 | 1.9 |
Completeness [%] | 98.8 | 94.4 | 99.8 |
Redundancy | 2.8 | 2.5 | 2.9 |
CC(1/2) | 0.992 | 0.984 | 0.650 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 293 | PEG3350 |