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 |
