3RXZ
Crystal structure of putative polysaccharide deacetylase from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-14 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97903 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.212, 59.592, 130.387 |
| Unit cell angles | 90.00, 95.35, 90.00 |
Refinement procedure
| Resolution | 29.130 - 2.010 |
| R-factor | 0.1756 |
| Rwork | 0.175 |
| R-free | 0.21140 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.120 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | Auto-Rickshaw |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.103 | 0.648 |
| Number of reflections | 81277 | |
| <I/σ(I)> | 15.7 | 2 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.2 M NaCl, 0.1 M imidazole/HCl, 30% PEG8K, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
