6GI2
Crystal structure of the ferric enterobactin esterase (pfeE) mutant(S157A) from Pseudomonas aeruginosa in complex with Tris-catechol vector
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 | 2017-04-27 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.794, 76.602, 129.867 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.980 - 1.490 |
| R-factor | 0.17439 |
| Rwork | 0.173 |
| R-free | 0.19895 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gi0 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.423 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 129.870 | 1.510 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.058 | 0.796 |
| Number of reflections | 95776 | 4729 |
| <I/σ(I)> | 16.8 | 2.2 |
| Completeness [%] | 100.0 | 99.3 |
| Redundancy | 7.2 | 7.1 |
| CC(1/2) | 0.999 | 0.863 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294 | PEG MME 2000, Sodium acetate, potassium nitrate |
