4PU0
Crystal structure of the Escherichia coli alkanesulfonate FMN reductase SsuE in FMNH2-bound form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9765 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 187.018, 187.018, 91.336 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.755 - 2.302 |
R-factor | 0.176 |
Rwork | 0.173 |
R-free | 0.22140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apo SsuE |
RMSD bond length | 0.013 |
RMSD bond angle | 1.393 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 42033 | |
<I/σ(I)> | 0.65 | |
Completeness [%] | 100.0 | 98.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | SsuE was concentrated to ~10 mg/mL in 10 mM HEPES, pH 7.0. Crystals were grown at room temperature using hanging drops made with the 4 l of protein stock mixed with 2 l of a reservoir containing 7.5% (w/v) polyethylene glycol (PEG) 3350 and 0.1 M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |