4JH1
Crystal Structure of FosB from Bacillus cereus with Zinc and Sulfate at 1.55 A Resolution -SAD Phasing
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] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-19 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.28 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.446, 68.201, 69.598 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.550 |
| R-factor | 0.1362 |
| Rwork | 0.133 |
| R-free | 0.18780 |
| Structure solution method | SAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.964 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 3.340 | 1.550 |
| Rmerge | 0.093 | 0.064 | 0.529 |
| Number of reflections | 44556 | ||
| <I/σ(I)> | 11.4 | ||
| Completeness [%] | 98.3 | 99.9 | 85.2 |
| Redundancy | 8.5 | 8.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG 3350, Magnesium formate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
