6Z2N
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV-L6
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 | 86.240, 156.625, 77.492 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.660 - 3.029 |
| Rwork | 0.221 |
| R-free | 0.26230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q5e |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.111 |
| 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] | 86.240 | 3.080 |
| High resolution limit [Å] | 3.029 | 3.030 |
| Rmerge | 0.070 | |
| Number of reflections | 21109 | 1019 |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.1 | |
| CC(1/2) | 1.000 | 0.485 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294 | PEG 8000, ADA, Magnesium acetate |
