5N1J
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus
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 | 2012-02-26 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.280, 117.668, 99.768 |
| Unit cell angles | 90.00, 102.75, 90.00 |
Refinement procedure
| Resolution | 45.266 - 1.800 |
| R-factor | 0.1748 |
| Rwork | 0.173 |
| R-free | 0.20230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c1g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.014 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.650 | 1.870 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 104340 | 10932 |
| <I/σ(I)> | 2.43 | |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.7 | 6.5 |
| CC(1/2) | 0.990 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 290 | 100 mM Sodium citrate, 10% ethanol, 30% PEG 4000 |
