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 |
