4NAZ
Crystal Structure of FosB from Staphylococcus aureus with Zn and Sulfate at 1.15 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) | 1.0781 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 62.616, 62.808, 45.053 |
| Unit cell angles | 90.00, 122.08, 90.00 |
Refinement procedure
| Resolution | 40.530 - 1.150 |
| R-factor | 0.1359 |
| Rwork | 0.134 |
| R-free | 0.16290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.255 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.170 |
| High resolution limit [Å] | 1.150 | 3.120 | 1.150 |
| Rmerge | 0.039 | 0.027 | 0.299 |
| Number of reflections | 49038 | ||
| <I/σ(I)> | 13 | ||
| Completeness [%] | 93.6 | 88.3 | 89.2 |
| Redundancy | 3.8 | 3.6 | 3.1 |
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 |
