7Q3B
Crystal structure of human STING in complex with 3'3'-c-(2'F,2'dA-isonucA)MP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-05 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.541870 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 110.728, 110.728, 35.746 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.017 - 2.557 |
R-factor | 0.192989387043 |
Rwork | 0.191 |
R-free | 0.23185 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ksy |
RMSD bond length | 0.007 |
RMSD bond angle | 1.077 |
Data reduction software | XDS (xdsgui2) |
Data scaling software | XDS (xdsgui2) |
Phasing software | PHASER (2.5.5) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.020 | 2.649 |
High resolution limit [Å] | 2.557 | 2.557 |
Rmerge | 0.222 | 0.962 |
Rmeas | 0.237 | 1.023 |
Number of reflections | 7594 | 716 |
<I/σ(I)> | 7.7 | 1.97 |
Completeness [%] | 100.0 | 98 |
Redundancy | 8.5 | 8.6 |
CC(1/2) | 0.990 | 0.777 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Lithium acetate, 20% (w/v) PEG 3350 |