7T9V
Crystal structure of hSTING with the agonist, SHR171032
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-17 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.19499 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.307, 80.884, 73.130 |
Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
Resolution | 60.545 - 2.680 |
R-factor | 0.2069 |
Rwork | 0.205 |
R-free | 0.23520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dxg |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 73.130 | 60.545 | 2.820 |
High resolution limit [Å] | 2.680 | 8.470 | 2.680 |
Rmeas | 0.118 | 0.040 | 1.746 |
Rpim | 0.044 | 0.015 | 0.644 |
Number of reflections | 14275 | 467 | 2093 |
<I/σ(I)> | 9.4 | 33.1 | 1.1 |
Completeness [%] | 94.9 | 93.6 | 95.9 |
Redundancy | 7.3 | 7.2 | 7.3 |
CC(1/2) | 0.998 | 0.628 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 298 | 0.07M CACODYLATE PH 6.8, 0.8M CALCIUM ACETATE, 13-15% PEG8000, AND 20% GLYCEROL |