6H7V
Crystal structure of BauA, the Ferric preacinetobactin receptor 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 | 2014-11-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97957 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 182.310, 220.420, 101.670 |
| Unit cell angles | 90.00, 98.65, 90.00 |
Refinement procedure
| Resolution | 139.530 - 2.540 |
| R-factor | 0.18483 |
| Rwork | 0.183 |
| R-free | 0.21295 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.239 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | Auto-Rickshaw |
| Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 139.530 | 2.610 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.120 | 0.789 |
| Number of reflections | 130065 | 9607 |
| <I/σ(I)> | 19.3 | 3.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 15.2 | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 8000, Hepes, KCl, ethylene glycol |
