6HCP
Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 180.200, 219.520, 101.430 |
| Unit cell angles | 90.00, 99.21, 90.00 |
Refinement procedure
| Resolution | 57.240 - 1.830 |
| R-factor | 0.15659 |
| Rwork | 0.156 |
| R-free | 0.17662 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.160 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.240 | 1.880 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.049 | 0.665 |
| Number of reflections | 339550 | 25109 |
| <I/σ(I)> | 17.1 | 2.2 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294 | PEG 8000 Hepes KCl ethylene glycol |
