6HZY
Crystal structure of a bacterial fucosidase with inhibitor FucPUG
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 | 2018-05-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.976250 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 104.925, 84.602, 121.737 |
Unit cell angles | 90.00, 109.00, 90.00 |
Refinement procedure
Resolution | 49.650 - 1.700 |
R-factor | 0.21006 |
Rwork | 0.208 |
R-free | 0.25393 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pee |
RMSD bond length | 0.009 |
RMSD bond angle | 1.600 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.610 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.053 | 0.347 |
Rpim | 0.030 | 0.197 |
Number of reflections | 109676 | 5379 |
<I/σ(I)> | 11.7 | 2.7 |
Completeness [%] | 99.3 | 98.4 |
Redundancy | 4.2 | 4 |
CC(1/2) | 0.997 | 0.952 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Imidazole pH 7.0 0.125 Ammonium Sulfate 16% PEG3350 |