3U14
Structure of D50A-fructofuranosidase from Schwanniomyces occidentalis complexed with inulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2010-12-09 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.980, 107.670, 96.460 |
Unit cell angles | 90.00, 91.92, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.240 |
R-factor | 0.1956 |
Rwork | 0.194 |
R-free | 0.23146 |
Structure solution method | Molecular Replacement & FOURIER SYNTHESIS |
Starting model (for MR) | 3kf3 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.798 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 107.670 | 2.360 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.140 | 0.500 |
Number of reflections | 65603 | |
<I/σ(I)> | 3.3 | |
Completeness [%] | 98.4 | 98.2 |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 8 | 293 | 15% PEG 6000, 3% MPD, 0.2M MgCl2, 0.1M HCl-Tris pH 8, LIQUID DIFFUSION, temperature 293K |