9TDV
Structure of D81A-Fructofuranosidase from Purpureocilum lilacinum 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 | 2025-04-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979257 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.145, 141.075, 252.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.654 - 2.000 |
| Rwork | 0.175 |
| R-free | 0.19530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.427 |
| 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] | 48.654 | 2.020 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.171 | |
| Rpim | 0.069 | 0.531 |
| Number of reflections | 191260 | 9389 |
| <I/σ(I)> | 16.3 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.5 | |
| CC(1/2) | 0.999 | 0.704 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.1M Bis-Tris, pH 5.5 and 2M ammonium sulfate using 2:1 ratio (protein:reservoir). Cryoprotected with 20% glycerol and flash-cooled in liquid nitrogen. |
