4EPA
The crystal structure of the ferric yersiniabactin uptake receptor FyuA from Yersinia pestis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97912 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 181.179, 181.179, 319.861 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.200 |
| R-factor | 0.22782 |
| Rwork | 0.227 |
| R-free | 0.24381 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.440 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.280 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Number of reflections | 40958 | |
| <I/σ(I)> | 12.4 | 1.5 |
| Completeness [%] | 97.9 | 83 |
| Redundancy | 12.7 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2.4 M ammonium formate, 0.1 M HEPES, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
