6Y47
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV-L5
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 | 86.010, 156.951, 77.563 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.540 - 3.040 |
| R-factor | 0.2208 |
| Rwork | 0.218 |
| R-free | 0.26750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q5e |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.555 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 156.950 | 3.090 |
| High resolution limit [Å] | 3.037 | 3.037 |
| Rmerge | 0.073 | |
| Number of reflections | 20933 | 982 |
| <I/σ(I)> | 11.3 | 1 |
| Completeness [%] | 100.0 | |
| Redundancy | 7.1 | |
| CC(1/2) | 0.999 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294 | PEG 8000 ADA Magnesium acetate |
