7BDV
Structure of Can2 from Sulfobacillus thermosulfidooxidans in complex with cyclic tetra-adenylate (cA4)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2019-10-14 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.860, 85.970, 237.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.370 - 2.020 |
| R-factor | 0.2433 |
| Rwork | 0.241 |
| R-free | 0.29010 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.534 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | CRANK |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.370 | 2.050 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.187 | 2.918 |
| Rmeas | 0.190 | 2.956 |
| Rpim | 0.033 | 0.471 |
| Number of reflections | 102945 | 5103 |
| <I/σ(I)> | 16 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 35.3 | 39 |
| CC(1/2) | 0.999 | 0.548 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 293 | 0.2 M Ammonium nitrate pH 6.3 20% w/v PEG 3350 |
