10QH
Crystal Structure of Treponema denticola Sialidase (TDE_0471) Bound to Neu5Ac (NANA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0331 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.734, 65.371, 92.021 |
| Unit cell angles | 90.00, 106.19, 90.00 |
Refinement procedure
| Resolution | 57.950 - 1.560 |
| R-factor | 0.14267 |
| Rwork | 0.142 |
| R-free | 0.15848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.689 |
| Data reduction software | xia2 (3.8.0) |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | PHASER (2.3.8) |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.950 | 1.600 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.075 | 0.422 |
| Number of reflections | 102901 | 4741 |
| <I/σ(I)> | 11.2 | 3 |
| Completeness [%] | 97.3 | 90.2 |
| Redundancy | 4.6 | 4.4 |
| CC(1/2) | 0.997 | 0.912 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 296 | 100 mM Tris, pH 8.2, 20 mM Cadmium chloride, 25% PEG400, soak in mother liquor with 15 mM Neu5Ac |
