7FE1
Crystal structure of GH92 alpha-1,2-mannosidase from Enterococcus faecalis ATCC 10100 in complex with methyl alpha-1,2-C-mannobioside
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-07 |
Detector | DECTRIS PILATUS3 S 2M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 163.162, 169.601, 258.659 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.621 - 1.720 |
Rwork | 0.149 |
R-free | 0.17140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dwo |
RMSD bond length | 0.012 |
RMSD bond angle | 1.733 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.810 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.121 | 1.168 |
Rmeas | 0.125 | 1.214 |
Rpim | 0.034 | 0.327 |
Number of reflections | 375878 | 54650 |
<I/σ(I)> | 17.3 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.6 | 13.5 |
CC(1/2) | 0.999 | 0.759 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM sodium citrate, pH 5.0-5.6, 100 mM magnesium acetate, 200 mM ammonium sulfate, 5% PEG 20000 |