6S0F
Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-21 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.661, 78.924, 112.992 |
| Unit cell angles | 90.00, 94.89, 90.00 |
Refinement procedure
| Resolution | 112.580 - 2.000 |
| R-factor | 0.2194 |
| Rwork | 0.217 |
| R-free | 0.26480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rzd |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.879 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 112.580 | 112.580 | 2.040 |
| High resolution limit [Å] | 2.000 | 10.000 | 2.000 |
| Rmerge | 0.162 | 0.095 | 0.576 |
| Rmeas | 0.188 | 0.108 | 0.660 |
| Rpim | 0.093 | 0.050 | 0.318 |
| Total number of observations | 301514 | 2796 | 18424 |
| Number of reflections | 75378 | 653 | 4420 |
| <I/σ(I)> | 5.4 | 9.7 | 2.4 |
| Completeness [%] | 99.9 | 99.9 | 100 |
| Redundancy | 4 | 4.3 | 4.2 |
| CC(1/2) | 0.956 | 0.986 | 0.848 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.15 M potassium thiocyanite, 20% PEG 1500, 0.1 M sodium acetate |
