7WDU
6-sulfo-beta-D-N-acetylglucosaminidase from Bifidobacterium bifidum in complex with PUGNAc-6S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.404, 58.947, 84.353 |
Unit cell angles | 90.00, 91.70, 90.00 |
Refinement procedure
Resolution | 48.360 - 2.230 |
R-factor | 0.2191 |
Rwork | 0.218 |
R-free | 0.23840 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.520 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.310 | 2.300 |
High resolution limit [Å] | 2.230 | 2.230 |
Rmerge | 0.123 | 0.542 |
Rpim | 0.079 | 0.353 |
Number of reflections | 37545 | 3437 |
<I/σ(I)> | 6.6 | 2.1 |
Completeness [%] | 99.9 | |
Redundancy | 3.4 | |
CC(1/2) | 0.991 | 0.796 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 20% (w/v) PEG3000, 0.1 M sodium citrate pH 5.5, 1 mM PUGNAc-6S |