8A2J
human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-biphenylyl)-AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-05 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 94.290, 116.910, 35.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.020 - 2.320 |
R-factor | 0.2264 |
Rwork | 0.225 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ksy |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.020 | 36.020 | 2.600 |
High resolution limit [Å] | 2.320 | 7.280 | 2.450 |
Rmerge | 0.193 | 0.058 | 1.869 |
Rmeas | 0.213 | 0.063 | 2.077 |
Number of reflections | 21423 | 648 | 2058 |
<I/σ(I)> | 6.7 | 22.98 | 0.79 |
Completeness [%] | 95.2 | 97.4 | 84.3 |
Redundancy | 5.417 | 5.693 | 4.805 |
CC(1/2) | 0.993 | 0.998 | 0.526 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 100 mM citric acid, 20% (w/v) PEG 6000 |