8VIG
EgtB-IV from Geminocystis sp. isolate SKYG4, 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 21 21 21 |
Unit cell lengths | 47.177, 95.639, 101.392 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.820 - 1.600 |
R-factor | 0.1867 |
Rwork | 0.186 |
R-free | 0.20720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.944 |
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] | 47.820 | 1.657 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.054 | 0.677 |
Rmeas | 0.076 | 0.957 |
Rpim | 0.054 | 0.677 |
Number of reflections | 61246 | 5990 |
<I/σ(I)> | 7.45 | 1.02 |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 2 | 2 |
CC(1/2) | 0.996 | 0.509 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | 0.1 M Bis-Tris, pH 6.7, 23% PEG3350, 0.2 M magnesium chloride |