8J8O
Structure of Acb2 complexed with 2',3'-cGAMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-24 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.979 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 106.046, 106.046, 101.586 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.710 - 2.240 |
R-factor | 0.2369 |
Rwork | 0.235 |
R-free | 0.27480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.832 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
High resolution limit [Å] | 2.240 | 6.080 | 2.240 |
Rmerge | 0.095 | 0.034 | 0.845 |
Rmeas | 0.106 | 0.038 | 0.967 |
Rpim | 0.048 | 0.017 | 0.463 |
Total number of observations | 153797 | ||
Number of reflections | 31815 | 1705 | 1484 |
<I/σ(I)> | 7.6 | ||
Completeness [%] | 99.5 | 98.7 | 94.3 |
Redundancy | 4.8 | 4.8 | 3.9 |
CC(1/2) | 1.000 | 0.999 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, Sodium bromide |