6JY5
Structure of CsoS4B from Halothiobacillus neapolitanus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.337, 68.434, 70.907 |
| Unit cell angles | 90.00, 124.42, 90.00 |
Refinement procedure
| Resolution | 40.180 - 2.150 |
| R-factor | 0.17248 |
| Rwork | 0.170 |
| R-free | 0.22660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rcf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.524 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.187 | 0.678 |
| Number of reflections | 20226 | 2011 |
| <I/σ(I)> | 10.259 | 3.41 |
| Completeness [%] | 98.1 | 98.5 |
| Redundancy | 3.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 30% polyethylene glycol 400, 0.2 M Li2SO4 and 0.1 M sodium cacodylate pH 6.5 |
