6S2B
Structure of beta-fructofuranosidase from Schwanniomyces occidentalis complexed with fructosyl-erythritol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-23 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979260 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.483, 92.540, 116.108 |
Unit cell angles | 90.00, 104.71, 90.00 |
Refinement procedure
Resolution | 49.330 - 1.880 |
R-factor | 0.15512 |
Rwork | 0.154 |
R-free | 0.17853 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kf3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.450 |
Data reduction software | XDS |
Data scaling software | Aimless (7.0.016) |
Phasing software | MOLREP (7.0.016) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.330 | 1.910 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.123 | 0.630 |
Rmeas | 0.137 | 0.700 |
Rpim | 0.059 | 0.300 |
Number of reflections | 98961 | 4791 |
<I/σ(I)> | 9.2 | 3 |
Completeness [%] | 98.6 | 97.9 |
Redundancy | 5.4 | 5.4 |
CC(1/2) | 0.990 | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 291 | 20% PEG 6000, 0.2 M MgCl2, and 0.1 M HEPES pH 7.0, by mixing 1 uL of protein with 0.5 uL of mother liquor. Crystals were transferred to a soaking solution containing mother liquor and 66 mM fructosyl-erythritol for 4 hours, and subsequently to a fresh drop supplemented with 25% ethylene glycol . |