5NC3
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with the tris-catechol vector
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97623 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 86.697, 155.171, 77.796 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.800 - 2.570 |
| R-factor | 0.22103 |
| Rwork | 0.219 |
| R-free | 0.26285 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.409 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.800 | 2.660 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmerge | 0.046 | 1.148 |
| Number of reflections | 34110 | 3283 |
| <I/σ(I)> | 22.1 | 1.5 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 7.3 | 7.6 |
| CC(1/2) | 0.999 | 0.756 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294 | PEG 8000 ADA Magnesium acetate pH 6.5 |
