5FP2
Crystal structure of the siderophore receptor PirA from Pseudomonas aeruginosa
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 | 2014-07-13 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 183.120, 95.280, 131.830 |
| Unit cell angles | 90.00, 127.52, 90.00 |
Refinement procedure
| Resolution | 52.490 - 2.970 |
| R-factor | 0.26529 |
| Rwork | 0.263 |
| R-free | 0.31861 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fep |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.215 |
| 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] | 52.490 | 3.050 |
| High resolution limit [Å] | 2.970 | 2.970 |
| Rmerge | 0.080 | 0.620 |
| Number of reflections | 36861 | |
| <I/σ(I)> | 11 | 1.8 |
| Completeness [%] | 98.8 | 99.9 |
| Redundancy | 3.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 17% PEG 3350, 0.2 M MGCL2, 0.1 M TRIS PH 7 |
