9TDW
Structure of D81A-Fructofuranosidase from Purpureocilum lilacinum in complex with fructose
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 | 2024-12-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979257 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.175, 141.777, 253.741 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.805 - 2.400 |
| Rwork | 0.199 |
| R-free | 0.22860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.315 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.805 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.153 | |
| Rpim | 0.063 | 0.463 |
| Number of reflections | 112459 | 5459 |
| <I/σ(I)> | 18.2 | 2.4 |
| Completeness [%] | 99.7 | |
| Redundancy | 13.3 | |
| CC(1/2) | 0.998 | 0.748 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 2M ammonium sulfate, 0.1M MES sodium salt pH 6.5, and 0.2M sodium chloride solution using 2:1 ratio (protein:reservoir). Cryoprotected with 20% glycerol and flash-cooled in liquid nitrogen. |
