6S04
Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-glycolylneuraminic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.053, 79.548, 113.520 |
| Unit cell angles | 90.00, 94.95, 90.00 |
Refinement procedure
| Resolution | 64.890 - 2.000 |
| R-factor | 0.2317 |
| Rwork | 0.229 |
| R-free | 0.27630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rzd |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.881 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.070 | 65.070 | 2.040 |
| High resolution limit [Å] | 2.000 | 10.200 | 2.000 |
| Rmerge | 0.236 | 0.125 | 0.635 |
| Rmeas | 0.269 | 0.148 | 0.723 |
| Rpim | 0.126 | 0.077 | 0.342 |
| Total number of observations | 323640 | 2287 | 18736 |
| Number of reflections | 78077 | 633 | 4474 |
| <I/σ(I)> | 3.7 | 4.7 | 2.1 |
| Completeness [%] | 100.0 | 99.1 | 100 |
| Redundancy | 4.1 | 3.6 | 4.2 |
| CC(1/2) | 0.963 | 0.887 | 0.739 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.8 M sodium formate, 12% PEG 4000, 0.1 M sodium acetate |
