3R3S
Structure of the YghA Oxidoreductase from Salmonella enterica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2010-12-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.728, 80.673, 96.168 |
| Unit cell angles | 90.00, 100.96, 90.00 |
Refinement procedure
| Resolution | 27.340 - 1.250 |
| R-factor | 0.13 |
| Rwork | 0.129 |
| R-free | 0.15300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i3o |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.546 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MrBUMP/MolRep |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.290 |
| High resolution limit [Å] | 1.250 | 2.690 | 1.250 |
| Rmerge | 0.107 | 0.075 | 0.527 |
| Number of reflections | 311759 | ||
| <I/σ(I)> | 14.8 | 20 | 2.2 |
| Completeness [%] | 99.3 | 99.7 | 95.3 |
| Redundancy | 5.8 | 6.2 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 2 M ammonium sulfate, 100 mM Tris, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
