5NC6
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (E)-N-hydroxy-3-(naphthalen-1-yl)prop-2-enamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-14 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.358, 118.012, 98.618 |
| Unit cell angles | 90.00, 102.28, 90.00 |
Refinement procedure
| Resolution | 47.346 - 2.800 |
| R-factor | 0.2234 |
| Rwork | 0.220 |
| R-free | 0.28010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.178 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.350 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 52715 | 2630 |
| <I/σ(I)> | 1.2 | |
| Completeness [%] | 99.5 | 95.4 |
| Redundancy | 4.6 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 289 | 100 mM Na citrate, 10% ethanol, 30% PEG 4000 |
