4NB0
Crystal Structure of FosB from Staphylococcus aureus with BS-Cys9 disulfide at 1.62 Angstrom Resolution
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 | 2012-07-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.1272 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.931, 44.882, 46.866 |
| Unit cell angles | 110.91, 115.24, 98.27 |
Refinement procedure
| Resolution | 39.270 - 1.620 |
| R-factor | 0.1906 |
| Rwork | 0.189 |
| R-free | 0.22440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.222 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.300 | 1.650 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.032 | |
| Number of reflections | 32205 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 96.0 | 93.9 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 303 | PEG 3350, Ammonium Sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 303K |
