8BEU
Structure of D188A-fructofuranosidase from Rhodotorula dairenensis in complex with raffinose
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 | 2021-06-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979264 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.008, 114.544, 139.165 |
Unit cell angles | 90.00, 104.58, 90.00 |
Refinement procedure
Resolution | 46.290 - 2.270 |
R-factor | 0.2082 |
Rwork | 0.206 |
R-free | 0.24700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 8beq |
RMSD bond length | 0.006 |
RMSD bond angle | 1.445 |
Data reduction software | XDS (Version February 5, 2021) |
Data scaling software | XDS (Version February 5, 2021) |
Phasing software | REFMAC (5.8.0267) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.290 | 2.310 |
High resolution limit [Å] | 2.270 | 2.270 |
Rmerge | 0.132 | 0.689 |
Rmeas | 0.144 | 0.744 |
Rpim | 0.055 | 0.401 |
Number of reflections | 113410 | 5618 |
<I/σ(I)> | 9.1 | |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.8 | 7 |
CC(1/2) | 0.993 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 20% PEG 3350, 0.2 M NaCl, 0.1 M BIS-TRIS pH 5.5 at 5.5 mg ml-1 concentration, 2:1 rate. Soaking: Mother liquor solution supplemented with 30 mM raffinose. 2h Cryocooling: Mother liquor solution supplemented with 20% glycerol |