7ZKU
Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'dGMP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 93.158, 93.158, 204.062 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.940 - 1.700 |
R-factor | 0.2229 |
Rwork | 0.222 |
R-free | 0.24450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ksy |
RMSD bond length | 0.005 |
RMSD bond angle | 0.736 |
Data reduction software | XDS (xdsapp 2.0) |
Data scaling software | XDS (xdsapp 2.0) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.940 | 1.761 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.143 | 4.412 |
Rmeas | 0.146 | 4.509 |
Rpim | 0.030 | 0.921 |
Number of reflections | 58210 | 5703 |
<I/σ(I)> | 16.01 | 0.78 |
Completeness [%] | 99.8 | 99.95 |
Redundancy | 22.8 | 23.3 |
CC(1/2) | 0.999 | 0.307 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Lithium acetate, 20% (w/v) PEG 3350 |