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 |
