3E82
Crystal structure of a putative oxidoreductase from Klebsiella pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-30 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.910, 79.750, 209.144 |
| Unit cell angles | 90.00, 94.00, 90.00 |
Refinement procedure
| Resolution | 35.870 - 2.040 |
| R-factor | 0.224 |
| Rwork | 0.209 |
| R-free | 0.23200 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX (& SHARP) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.560 | |
| Number of reflections | 109371 | |
| <I/σ(I)> | 13 | |
| Completeness [%] | 98.8 | 97.1 |
| Redundancy | 7.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 25% PEG3350, 0.1M Bis-Tris, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
