4JH7
Crystal Structure of FosB from Bacillus cereus with Manganese and L-Cysteine-Fosfomycin Product
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 | 2012-06-07 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.078 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.292, 68.309, 70.183 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.950 - 1.550 |
| R-factor | 0.1359 |
| Rwork | 0.133 |
| R-free | 0.18640 |
| Structure solution method | SAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.072 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
| Rmerge | 0.066 | 0.030 | 0.453 |
| Number of reflections | 44593 | ||
| <I/σ(I)> | 8.8 | ||
| Completeness [%] | 97.9 | 99.5 | 95.6 |
| Redundancy | 7.4 | 6.8 | 7.3 |
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 |
