8KBH
Structure of CbTad1 complexed with 2',3'-cGAMP and cA3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 140.725, 81.244, 128.586 |
Unit cell angles | 90.00, 106.23, 90.00 |
Refinement procedure
Resolution | 35.120 - 1.540 |
R-factor | 0.2323 |
Rwork | 0.231 |
R-free | 0.26020 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.245 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.130 | 1.580 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.199 | 1.140 |
Rmeas | 0.218 | 1.292 |
Rpim | 0.089 | 0.591 |
Total number of observations | 1251059 | 72068 |
Number of reflections | 205128 | 15133 |
<I/σ(I)> | 5.8 | 1.6 |
Completeness [%] | 100.0 | |
Redundancy | 6.1 | 4.8 |
CC(1/2) | 0.965 | 0.280 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M PCTP pH 8.0, 60% MPD |