3OOS
The structure of an alpha/beta fold family hydrolase from Bacillus anthracis str. Sterne
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 | 2010-07-22 |
| Detector | SBC-3 |
| Wavelength(s) | 0.9797 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 73.717, 80.839, 113.867 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.920 - 1.650 |
| R-factor | 0.14919 |
| Rwork | 0.147 |
| R-free | 0.18189 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.897 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.043 | 0.181 |
| Number of reflections | 40780 | |
| <I/σ(I)> | 56.03 | 12 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2M ammonium sulfate, 0.1M HEPES pH7.5, 16%w/v PEG4000, 10%w/v isopropanol, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
