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 |