6S1T
Structure of beta-fructofuranosidase from Schwanniomyces occidentalis complexed with sucrose
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 S 6M |
Wavelength(s) | 0.979260 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.903, 93.201, 116.615 |
Unit cell angles | 90.00, 104.90, 90.00 |
Refinement procedure
Resolution | 49.740 - 2.090 |
R-factor | 0.1768 |
Rwork | 0.175 |
R-free | 0.21362 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kf3 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.459 |
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] | 49.740 | 2.130 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.138 | 0.569 |
Rmeas | 0.156 | 0.640 |
Rpim | 0.070 | 0.286 |
Number of reflections | 74544 | 4621 |
<I/σ(I)> | 8.6 | |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 5 | 5 |
CC(1/2) | 0.981 | 0.802 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 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 soaked in mother liquor supplemented with 83 mM fructosyl-manitol, contaminated with sucrose. Cryoprotectant mother liquor supplemented with 25% ethylene glycol. |