3E4R
Crystal structure of the alkanesulfonate binding protein (SsuA) from the phytopathogenic bacteria Xanthomonas axonopodis pv. citri bound to HEPES
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | OTHER |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2008-03-15 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.433 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.660, 85.500, 46.830 |
Unit cell angles | 90.00, 98.08, 90.00 |
Refinement procedure
Resolution | 46.370 - 2.010 |
R-factor | 0.14545 |
Rwork | 0.142 |
R-free | 0.21975 |
Structure solution method | MIR |
RMSD bond length | 0.014 |
RMSD bond angle | 1.473 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.374 | 2.120 |
High resolution limit [Å] | 2.003 | 2.000 |
Rmerge | 0.084 | 0.204 |
Number of reflections | 15775 | |
<I/σ(I)> | 4.72 | |
Completeness [%] | 99.8 | 29.5 |
Redundancy | 4.23 | 3.82 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES pH 7.5, 0.5 M Sodium Chloride, 1.6 M Ammonium Sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |