4JH9
Crystal Structure of FosB from Bacillus cereus with Maganese and Potential BSH-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 | 2012-11-15 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.127 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.475, 64.477, 83.907 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.770 |
R-factor | 0.1856 |
Rwork | 0.183 |
R-free | 0.23550 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.965 |
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 | 1.830 |
High resolution limit [Å] | 1.770 | 3.810 | 1.770 |
Rmerge | 0.084 | 0.048 | 0.601 |
Number of reflections | 30311 | ||
<I/σ(I)> | 8.2 | ||
Completeness [%] | 99.2 | 99.8 | 92.7 |
Redundancy | 4.7 | 4.6 | 4.4 |
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 |