6YY5
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with TCV_L5
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.795, 157.049, 77.503 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.293 - 2.717 |
| Rwork | 0.214 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q5e |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.349 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.293 | 2.760 |
| High resolution limit [Å] | 2.717 | 2.717 |
| Rmerge | 0.071 | 1.752 |
| Number of reflections | 28920 | 1334 |
| <I/σ(I)> | 12.5 | |
| Completeness [%] | 99.8 | 93.5 |
| Redundancy | 7.1 | |
| CC(1/2) | 0.999 | 0.443 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294 | PEG 8000, ADA, Magnesium acetate |
