5FR8
Crystal structure of the siderophore receptor PirA from Acinetobacter baumannii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-06 |
| Detector | DECTRIS PIXEL |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 99.090, 99.090, 504.370 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 84.600 - 2.830 |
| R-factor | 0.22901 |
| Rwork | 0.227 |
| R-free | 0.25795 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fep |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.363 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.810 | 2.980 |
| High resolution limit [Å] | 2.830 | 2.830 |
| Rmerge | 0.100 | 0.640 |
| Number of reflections | 62752 | |
| <I/σ(I)> | 12.5 | 2.4 |
| Completeness [%] | 90.7 | 92.8 |
| Redundancy | 6.1 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 16% PEG 8000, 0.15 M MAGNESIUM SULFATE BICINE PH 9 |
