6Q5E
Crystal structure of the ferric enterobactin receptor from Pseudomonas aeruginosa (PfeA) in complex with enterobactin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-17 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.630, 159.260, 78.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.630 - 2.700 |
| R-factor | 0.21002 |
| Rwork | 0.208 |
| R-free | 0.24938 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m9b |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.416 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.630 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.057 | 0.603 |
| Number of reflections | 30261 | |
| <I/σ(I)> | 22 | 3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 294 | PEG 8000 ADA Magnesium acetate |
