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 |