4M1B
Structural Determination of BA0150, a Polysaccharide Deacetylase from Bacillus anthracis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.28260 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.173, 75.795, 124.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.115 - 1.990 |
| R-factor | 0.1723 |
| Rwork | 0.170 |
| R-free | 0.21410 |
| Structure solution method | Rosetta |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | Rosetta |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.115 | 2.100 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.082 | 0.592 |
| Number of reflections | 31120 | |
| <I/σ(I)> | 16.2 | 2.3 |
| Completeness [%] | 98.9 | 94.3 |
| Redundancy | 5.9 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1 M Tris, pH 8.0, 0.2 M NaCl, 30-34% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
