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 |