2Q89
Crystal structure of EhuB in complex with hydroxyectoine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
Synchrotron site | MPG/DESY, HAMBURG |
Beamline | BW6 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.05 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 57.135, 57.135, 161.576 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.236 |
Rwork | 0.235 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.040 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.180 | 2.300 |
Rmerge | 0.055 | 0.035 | 0.202 |
Number of reflections | 12062 | ||
<I/σ(I)> | 12.6 | ||
Completeness [%] | 95.5 | 78.2 | 96.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 273 | sodium acetate PEG Cadmium chloride, pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 273K |