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 |
