5Z9S
Functional and Structural Characterization of a beta-Glucosidase Involved in Saponin Metabolism from Intestinal Bacteria
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 277.15 |
Detector technology | CCD |
Collection date | 2016-12-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.954, 134.419, 90.285 |
Unit cell angles | 90.00, 98.82, 90.00 |
Refinement procedure
Resolution | 47.850 - 2.300 |
R-factor | 0.2245 |
Rwork | 0.224 |
R-free | 0.24180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u48 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.732 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.850 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.134 | 0.652 |
Number of reflections | 70856 | 6276 |
<I/σ(I)> | 13.2 | 2.8 |
Completeness [%] | 99.0 | 100 |
Redundancy | 6.8 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | sodium formate, BICINE, polyethylene glycol monomethyl ether 5000 |