5NEL
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with ThiametG
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 | 49.437, 117.975, 98.199 |
| Unit cell angles | 90.00, 102.10, 90.00 |
Refinement procedure
| Resolution | 48.339 - 2.734 |
| R-factor | 0.2082 |
| Rwork | 0.205 |
| R-free | 0.26630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.199 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 48.740 |
| High resolution limit [Å] | 2.734 |
| Number of reflections | 51427 |
| <I/σ(I)> | 6.3 |
| Completeness [%] | 89.7 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 100 mM sodium citrate, 10% ethanol, 30% PEG 4000 |
