5M9B
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa
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 | 2012-02-20 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9174 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 87.890, 158.180, 77.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.830 - 2.120 |
| R-factor | 0.20027 |
| Rwork | 0.199 |
| R-free | 0.23076 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fep |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.447 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.830 | 2.180 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 1.190 | |
| Number of reflections | 62126 | |
| <I/σ(I)> | 20.3 | 1.7 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 7.5 | 7.4 |
| CC(1/2) | 0.999 | 0.618 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 294 | PEG 8000, ADA, Magnesium acetate |
