6FJE
Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with fructose and glucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 74.834, 205.626, 146.306 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 119.210 - 1.850 |
| R-factor | 0.16939 |
| Rwork | 0.168 |
| R-free | 0.18930 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5ann |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.453 |
| Data reduction software | XDS (0.52) |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.690 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.054 | 0.541 |
| Rmeas | 0.058 | 0.585 |
| Rpim | 0.022 | 0.221 |
| Number of reflections | 192473 | 9492 |
| <I/σ(I)> | 21.1 | 3.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.7 | 6.9 |
| CC(1/2) | 0.999 | 0.953 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1.1 M Sodium Citrate tribasic dihydrate |
