8VIH
EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with hercynine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-08-15 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.197, 94.511, 83.747 |
Unit cell angles | 90.00, 100.16, 90.00 |
Refinement procedure
Resolution | 47.260 - 1.550 |
R-factor | 0.1799 |
Rwork | 0.180 |
R-free | 0.19830 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.325 |
Data reduction software | XDS (XDS-Apple_M1) |
Data scaling software | XDS (XDS-Apple_M1) |
Phasing software | PHASER (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.260 | 1.605 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.051 | 0.594 |
Rmeas | 0.073 | 0.841 |
Rpim | 0.051 | 0.594 |
Number of reflections | 136888 | 13254 |
<I/σ(I)> | 7.38 | 1.13 |
Completeness [%] | 99.1 | 96.69 |
Redundancy | 1.9 | 1.9 |
CC(1/2) | 0.996 | 0.506 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | 0.1 M Bis-Tris, pH 5.9, 23% PEG3350, 0.2 M ammonium acetate |