8QFN
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese and in presence of catalase aerobic
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.507, 59.209, 134.572 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.450 - 1.750 |
R-factor | 0.1893 |
Rwork | 0.188 |
R-free | 0.22460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.799 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.510 | 1.813 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 72960 | 7181 |
<I/σ(I)> | 13.89 | 1.4 |
Completeness [%] | 99.5 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.727 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M magnesium acetate tetrahydrate 0.1 M sodium cacodylate, pH 6.5 20% w/v PEG 8000 |