8GEX
Crystal structure of the ferric enterobactin transporter (XusB) from Bacteroides thetaiotaomicron
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-07-31 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 174.193, 174.193, 294.280 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.900 - 2.550 |
R-factor | 0.225 |
Rwork | 0.224 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.488 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.900 | 2.590 |
High resolution limit [Å] | 2.550 | 2.550 |
Number of reflections | 167888 | 8360 |
<I/σ(I)> | 15.38 | 2.02 |
Completeness [%] | 99.8 | |
Redundancy | 3.8 | |
CC(1/2) | 0.997 | 0.841 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 2 M ammonium sulfate, 0.1 M sodium cacodylate (pH 6.5), and 0.2 M sodium chloride, and 0.1 M Sodium citrate tribasic dihydrate |