8QC3
Crystal structure of oxidoreductive sulfoquinovosidase from Arthrobacter sp. U41 (ArSqgA)in complex with co-factor NAD+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-04-21 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97628 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.273, 53.994, 90.721 |
Unit cell angles | 90.00, 90.40, 90.00 |
Refinement procedure
Resolution | 45.300 - 2.650 |
R-factor | 0.21974 |
Rwork | 0.217 |
R-free | 0.27482 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.351 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.360 | 2.780 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.164 | 0.785 |
Rmeas | 0.180 | 0.856 |
Rpim | 0.072 | 0.336 |
Total number of observations | 130389 | 17890 |
Number of reflections | 20601 | 2715 |
<I/σ(I)> | 7 | 2.2 |
Completeness [%] | 98.7 | |
Redundancy | 6.3 | 6.6 |
CC(1/2) | 0.961 | 0.709 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | 0.2 M potassium nitrate pH 6.8, 20% (w/v) PEG3350, 2 mM NAD+ |