4NAY
Crystal Structure of FosB from Staphylococcus aureus with Zn and Sulfate at 1.42 Angstrom Resolution - SAD Phasing
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) | 1.2823 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 62.495, 62.905, 44.912 |
| Unit cell angles | 90.00, 121.91, 90.00 |
Refinement procedure
| Resolution | 40.560 - 1.420 |
| R-factor | 0.1314 |
| Rwork | 0.130 |
| R-free | 0.16640 |
| Structure solution method | SAD |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.281 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.440 |
| High resolution limit [Å] | 1.420 | 3.850 | 1.420 |
| Rmerge | 0.052 | 0.033 | 0.402 |
| Number of reflections | 27859 | ||
| <I/σ(I)> | 50.83 | ||
| Completeness [%] | 99.9 | 98.7 | 100 |
| Redundancy | 7.1 | 6.9 | 6 |
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 |
