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 |