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 |