8QC6
Crystal Structure of NAD-dependent glycoside hydrolase from Arthrobacter sp. U41 in complex with NAD+ and sulfoquinovose (SQ)
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 | 2023-05-22 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.561, 73.017, 199.502 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.810 - 2.400 |
R-factor | 0.18848 |
Rwork | 0.186 |
R-free | 0.24385 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.362 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.920 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.277 | 1.150 |
Rmeas | 0.288 | 1.201 |
Rpim | 0.079 | 0.338 |
Total number of observations | 437041 | 40866 |
Number of reflections | 33269 | 3423 |
<I/σ(I)> | 6.6 | 2.1 |
Completeness [%] | 99.9 | |
Redundancy | 13.1 | 11.9 |
CC(1/2) | 0.989 | 0.723 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG1500 |