8VIK
EgtB-IV from Crocosphaera subtropica, a type IV sulfoxide synthase involved in ergothioneine biosynthesis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE 7B2 |
Synchrotron site | CHESS |
Beamline | 7B2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-10-19 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.9686 |
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 | 29.430 - 1.961 |
R-factor | 0.1902 |
Rwork | 0.190 |
R-free | 0.21910 |
Structure solution method | SIR |
RMSD bond length | 0.004 |
RMSD bond angle | 0.672 |
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] | 29.430 | 2.031 |
High resolution limit [Å] | 1.961 | 1.961 |
Rmerge | 0.049 | 0.596 |
Rmeas | 0.069 | 0.843 |
Rpim | 0.049 | 0.596 |
Number of reflections | 66735 | 5237 |
<I/σ(I)> | 9.17 | 1.1 |
Completeness [%] | 97.4 | 76.57 |
Redundancy | 2 | 2 |
CC(1/2) | 0.998 | 0.549 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 293 | 0.1 M Bis-Tris, pH 6.1, 0.18 M ammonium acetate, 25% PEG 3350 |