3KUX
Structure of the YPO2259 putative oxidoreductase from Yersinia pestis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2009-10-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 97.550, 97.550, 172.510 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.930 - 2.750 |
R-factor | 0.2 |
Rwork | 0.199 |
R-free | 0.24500 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.796 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.098 | 0.616 |
Number of reflections | 13282 | |
<I/σ(I)> | 8.3 | 3.2 |
Completeness [%] | 99.4 | 99.8 |
Redundancy | 6.3 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 35% Tacsimate, 10mM magnesium chloride, 100mM HEPES, 300mM NDSB-195, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |