6S00
Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-acetylneuraminic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.7001 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.262, 79.017, 112.935 |
Unit cell angles | 90.00, 94.83, 90.00 |
Refinement procedure
Resolution | 49.800 - 2.000 |
R-factor | 0.2116 |
Rwork | 0.209 |
R-free | 0.25170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rzd |
RMSD bond length | 0.013 |
RMSD bond angle | 1.829 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.750 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.293 | 1.927 |
Rmeas | 0.302 | 1.983 |
Rpim | 0.071 | 0.466 |
Total number of observations | 1371172 | |
Number of reflections | 76209 | 4445 |
<I/σ(I)> | 10.3 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 18 | 17.7 |
CC(1/2) | 0.993 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.8 M sodium formate, 12% PEG 4000, 0.1 M sodium acetate |