8VW6
Crystal structure of SsuD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95374 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.859, 81.631, 299.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 149.570 - 2.606 |
| R-factor | 0.2664 |
| Rwork | 0.266 |
| R-free | 0.27780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.890 |
| Data reduction software | XDS (20230630) |
| Data scaling software | Aimless (0.7.13) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 149.575 | 2.845 |
| High resolution limit [Å] | 2.606 | 2.606 |
| Rmerge | 0.589 | 1.866 |
| Rmeas | 0.612 | 1.954 |
| Rpim | 0.166 | 0.570 |
| Number of reflections | 16962 | 848 |
| <I/σ(I)> | 4.9 | 1.4 |
| Completeness [%] | 88.9 | 31.9 |
| Redundancy | 13.2 | 10.8 |
| CC(1/2) | 0.959 | 0.603 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 25 % w/v PEG 3350 0.2 M Magnesium Chloride 0.1 M Tris-HCl pH 8.5 |
