6N1A
Crystal structure of an N-acetylgalactosamine deacetylase from F. plautii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-11 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9194 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.584, 69.186, 104.325 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.200 - 1.600 |
| R-factor | 0.1402 |
| Rwork | 0.139 |
| R-free | 0.16660 |
| Structure solution method | SAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.942 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.200 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rpim | 0.020 | 0.400 |
| Number of reflections | 48937 | 1932 |
| <I/σ(I)> | 27.4 | 1.8 |
| Completeness [%] | 97.7 | 79.2 |
| Redundancy | 22.9 | 13.3 |
| CC(1/2) | 1.000 | 0.630 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M CaCl2, 0.1 M MES pH 6.0, 18% PEG 4000, and 20 mM MnCl2 |
