6S2H
Structure Of D80A-Fructofuranosidase From Xanthophyllomyces Dendrorhous Complexed With Fructose And Catechol
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 | 2015-07-23 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.041910 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 74.715, 204.743, 147.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 119.550 - 1.800 |
R-factor | 0.164 |
Rwork | 0.164 |
R-free | 0.17200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ann |
RMSD bond length | 0.007 |
RMSD bond angle | 1.330 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 119.550 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.086 | 0.537 |
Rpim | 0.036 | 0.226 |
Number of reflections | 209132 | 10286 |
<I/σ(I)> | 11.8 | 2.7 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 6.7 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 1.2M SODIUM CITRATE TRIBASIC DIHYDRATE, THEN SOAKED IN 20MM FRUCTOSE PLUS 50MM CATECHOL |