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+ |
