8A2X
Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP(S)-2'F,2'dAMP(S))
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-23 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.541870 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 111.009, 111.009, 35.625 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.250 - 3.000 |
R-factor | 0.2253 |
Rwork | 0.222 |
R-free | 0.29120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ksy |
RMSD bond length | 0.003 |
RMSD bond angle | 0.610 |
Data reduction software | XDS (xdsgui2) |
Data scaling software | XDS (xdsgui2) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.250 | 3.108 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.249 | 1.493 |
Rmeas | 0.261 | 1.555 |
Rpim | 0.075 | 0.429 |
Number of reflections | 4778 | 443 |
<I/σ(I)> | 9.86 | 2.34 |
Completeness [%] | 99.2 | 98.23 |
Redundancy | 11.6 | 12.5 |
CC(1/2) | 0.992 | 0.690 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Lithium acetate, 20% (w/v) PEG 3350 |