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 |