6RZD
Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7
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 | 2018-05-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.112, 79.273, 112.214 |
| Unit cell angles | 90.00, 94.72, 90.00 |
Refinement procedure
| Resolution | 64.670 - 2.000 |
| R-factor | 0.2363 |
| Rwork | 0.234 |
| R-free | 0.28560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Unpublished SeMet derivative |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.855 |
| 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] | 64.670 | 64.670 | 2.040 |
| High resolution limit [Å] | 2.000 | 10.000 | 2.000 |
| Rmerge | 0.198 | 0.084 | 0.809 |
| Rmeas | 0.219 | 0.093 | 0.894 |
| Rpim | 0.094 | 0.039 | 0.377 |
| Total number of observations | 412825 | 3334 | 24799 |
| Number of reflections | 75801 | 651 | 4447 |
| <I/σ(I)> | 5.8 | 14.1 | 1.8 |
| Completeness [%] | 100.0 | 99.6 | 99.7 |
| Redundancy | 5.4 | 5.1 | 5.6 |
| CC(1/2) | 0.985 | 0.993 | 0.593 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 273 | 0.8 M sodium formate, 15% PEG 4000, 0.1 M sodium acetate |
