6KU2
The structure of EanB/Y353A complex with ergothioneine covalent linked with persulfide Cys412
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-04 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.683, 88.240, 90.771 |
Unit cell angles | 90.00, 90.35, 90.00 |
Refinement procedure
Resolution | 47.340 - 2.340 |
R-factor | 0.17351 |
Rwork | 0.171 |
R-free | 0.22808 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.340 | 2.340 |
Rmerge | 0.896 | |
Number of reflections | 41635 | 2048 |
<I/σ(I)> | 14.7 | |
Completeness [%] | 99.5 | |
Redundancy | 6.7 | |
CC(1/2) | 0.139 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M imidazole, Sodium cacodylate, MES, Bis-tris pH6.5, 0.09M halogens (NaF,NaBr,NaI), 37.5% MPD_P1k_PEG3350 |