5FP1
Crystal structure of the siderophore receptor PiuA from Acinetobacter baumannii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-20 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.120, 100.130, 163.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.290 - 1.940 |
| R-factor | 0.15789 |
| Rwork | 0.157 |
| R-free | 0.18092 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fok |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.373 |
| 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] | 65.290 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.090 | 0.660 |
| Number of reflections | 104869 | |
| <I/σ(I)> | 16.6 | 3 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 7.4 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 1 M DIAMMONIUM HYDROGEN PHOSPHATE, 0.1 M SODIUM ACETATE PH 4.6 |
