7OBW
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with TCV-L6
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 87.414, 157.114, 77.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.430 - 2.660 |
| Rwork | 0.231 |
| R-free | 0.27670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q5e |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.291 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.430 | 2.700 |
| High resolution limit [Å] | 2.659 | 2.660 |
| Rmerge | 0.072 | |
| Number of reflections | 31558 | 1486 |
| <I/σ(I)> | 13 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.997 | 0.609 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294 | PEG 8000, ADA, Magnesium acetate |
