4JH6
Crystal Structure of FosB from Bacillus cereus with Manganese and Fosfomycin
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 | 2012-11-15 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.13 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.488, 68.691, 70.093 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.060 - 1.320 |
| R-factor | 0.1395 |
| Rwork | 0.138 |
| R-free | 0.17050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.204 |
| 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 | 1.340 |
| High resolution limit [Å] | 1.320 | 3.580 | 1.320 |
| Rmerge | 0.051 | 0.032 | 0.548 |
| Number of reflections | 72030 | ||
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 97.8 | 87.4 | 99.9 |
| Redundancy | 4 | 4.2 | 3.7 |
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 |
