6QPS
Structural characterization of a mannuronic acid specific polysaccharide family 6 lyase enzyme from human gut microbiota
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-12 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.873127 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.623, 129.951, 66.995 |
Unit cell angles | 90.00, 113.90, 90.00 |
Refinement procedure
Resolution | 55.400 - 1.287 |
R-factor | 0.1595 |
Rwork | 0.159 |
R-free | 0.17490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5gkd |
RMSD bond length | 0.011 |
RMSD bond angle | 1.088 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.400 | 1.333 |
High resolution limit [Å] | 1.287 | 1.287 |
Number of reflections | 230084 | 22263 |
<I/σ(I)> | 7.23 | 1.69 |
Completeness [%] | 99.7 | 96.59 |
Redundancy | 6.6 | 6.1 |
CC(1/2) | 0.998 | 0.535 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 296 | 0.2 M calcium acetate hydrate, 0.1 M Tris-HCl, 20 % (w/v) PEG 3000 |