6GI0
Crystal structure of the ferric enterobactin esterase (PfeE) from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-01 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.340, 111.100, 48.500 |
| Unit cell angles | 90.00, 105.47, 90.00 |
Refinement procedure
| Resolution | 55.550 - 2.000 |
| R-factor | 0.17807 |
| Rwork | 0.176 |
| R-free | 0.22198 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gzr |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.334 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.550 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | 0.209 |
| Number of reflections | 30184 | 1755 |
| <I/σ(I)> | 17.3 | 4.6 |
| Completeness [%] | 96.6 | 75.9 |
| Redundancy | 3.6 | 2.4 |
| CC(1/2) | 0.999 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294 | PEG MME 2000, Sodium acetate, potassium nitrate |
