8P1S
Bifidobacterium asteroides alpha-L-fucosidase (TT1819) in complex with fucose.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-05 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.058, 142.765, 167.202 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 83.741 - 1.900 |
Rwork | 0.169 |
R-free | 0.20690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.924 |
Data reduction software | xia2 |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 108.560 | 108.560 | 1.930 |
High resolution limit [Å] | 1.900 | 10.410 | 1.900 |
Rmerge | 0.246 | 0.051 | 9.946 |
Rmeas | 0.262 | 0.054 | 10.726 |
Rpim | 0.086 | 0.018 | 3.866 |
Number of reflections | 167861 | 167861 | 8235 |
<I/σ(I)> | 9.2 | ||
Completeness [%] | 100.0 | ||
Redundancy | 17.5 | 15.5 | 14.9 |
CC(1/2) | 0.998 | 0.999 | 0.215 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.12M Diethylene glycol; 0.12M Triethylene glycol; 0.12M Tetraethylene glycol; 0.12M Pentaethylene glycol, 0.1M Tris (base); BICINE pH 8.5, 10% v/v MPD; 10% PEG 1000; 10% w/v PEG 3350 |