3FSG
Crystal structure of alpha/beta superfamily hydrolase from Oenococcus oeni PSU-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9794 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 217.493, 40.580, 135.980 |
Unit cell angles | 90.00, 107.50, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.000 |
R-factor | 0.18184 |
Rwork | 0.180 |
R-free | 0.22514 |
Structure solution method | SAD |
RMSD bond length | 0.020 |
RMSD bond angle | 1.716 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.063 | 0.546 |
Number of reflections | 77549 | |
<I/σ(I)> | 21.23 | 2.3 |
Completeness [%] | 99.8 | 98.6 |
Redundancy | 3.6 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 1.6 M Ammonium sulfate, 10% Dioxane, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |