6Z33
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-01 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.962, 157.358, 78.077 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.679 - 2.711 |
| Rwork | 0.226 |
| R-free | 0.25150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q5e |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.255 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.679 | 2.858 |
| High resolution limit [Å] | 2.711 | 2.711 |
| Rmerge | 0.062 | |
| Number of reflections | 24453 | 1224 |
| <I/σ(I)> | 16.9 | |
| Completeness [%] | 83.0 | |
| Redundancy | 7.5 | |
| CC(1/2) | 1.000 | 0.555 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294 | PEG 8000 ADA Magnesium acetate |
