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 |