4JH4
Crystal Structure of FosB from Bacillus cereus with Nickel 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 | 2012-06-07 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.48 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.405, 68.540, 70.443 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.120 - 1.900 |
| R-factor | 0.1745 |
| Rwork | 0.172 |
| R-free | 0.21620 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.023 |
| 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] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.126 | 0.053 | 0.792 |
| Number of reflections | 25076 | ||
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 98.4 | 99.5 | 97 |
| Redundancy | 14.2 | 12.9 | 14.1 |
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 |
