3K1S
Crystal Structure of the PTS Cellobiose Specific Enzyme IIA from Bacillus anthracis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-04-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 92.887, 92.887, 260.639 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.750 - 2.300 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.22600 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.749 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.119 | 0.535 |
| Number of reflections | 48951 | |
| <I/σ(I)> | 7.7 | 2.6 |
| Completeness [%] | 94.5 | 96.5 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293 | 30% PEG3350, 200mM sodium formate, 10mM fructose, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
