8D8S
SufS from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-16 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 93.853, 93.853, 101.461 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.737 - 1.388 |
| Rwork | 0.168 |
| R-free | 0.19110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5j8q |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.054 |
| Data reduction software | APEX |
| Data scaling software | APEX |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.737 | 1.410 |
| High resolution limit [Å] | 1.388 | 1.388 |
| Rmerge | 0.015 | 0.415 |
| Rmeas | 0.021 | 0.587 |
| Rpim | 0.015 | 0.415 |
| Number of reflections | 104403 | 4995 |
| <I/σ(I)> | 22.8 | 2.1 |
| Completeness [%] | 100.0 | 97.6 |
| Redundancy | 22.6 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.35 | 293 | Tris, ammonium sulfate |
