4FIL
Structure of FhuD2 from Staphylococcus Aureus with Bound Ferrioxamine B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-03 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.343, 78.996, 116.811 |
| Unit cell angles | 90.00, 109.87, 90.00 |
Refinement procedure
| Resolution | 45.000 - 2.400 |
| R-factor | 0.2013 |
| Rwork | 0.198 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fkm |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.673 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.062 | 0.278 |
| Number of reflections | 50153 | |
| <I/σ(I)> | 16.1 | 2.7 |
| Completeness [%] | 91.9 | 81.2 |
| Redundancy | 3.2 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 2.9 M NaCl, 100 mM imidazole, 250 mM Zn(OAc)2, 30 mg/mL FhuD2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
