3E19
Crystal Structure of Iron Uptake Regulatory Protein (FeoA) Solved by Sulfur SAD in a Monoclinic Space Group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2007-12-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.9 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.786, 68.386, 68.969 |
| Unit cell angles | 90.00, 132.67, 90.00 |
Refinement procedure
| Resolution | 19.340 - 2.000 |
| R-factor | 0.17576 |
| Rwork | 0.173 |
| R-free | 0.22789 |
| Structure solution method | SAD |
| Starting model (for MR) | ab initio |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.864 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.048 | 0.040 | 0.104 |
| Number of reflections | 20216 | ||
| Completeness [%] | 92.7 | 98.2 | 86.7 |
| Redundancy | 22.5 | 22.5 | 19.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Sodium Phosphate, Potassium Phosphate, pH 7.5, vapor diffusion, sitting drop, temperature 298K |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Sodium Phosphate, Potassium Phosphate, pH 7.5, vapor diffusion, sitting drop, temperature 298K |
