4V33
Crystal structure of the putative polysaccharide deacetylase BA0330 from bacillus anthracis
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 | 2013-08-30 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.964, 68.763, 132.022 |
| Unit cell angles | 90.00, 96.86, 90.00 |
Refinement procedure
| Resolution | 48.021 - 1.480 |
| R-factor | 0.1574 |
| Rwork | 0.157 |
| R-free | 0.17480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hd5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.024 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.020 | 1.560 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.050 | 0.590 |
| Number of reflections | 155207 | |
| <I/σ(I)> | 17.8 | 2.6 |
| Completeness [%] | 96.4 | 93.2 |
| Redundancy | 4.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 100 MM SODIUM CACODYLATE PH 6.5, 20% PEG 3350 |
