9TDX
Structure of D81A-Fructofuranosidase from Purpureocilum lilacinum in complex with sucrose
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 | 2025-05-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979257 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.104, 141.122, 252.658 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.408 - 2.004 |
| Rwork | 0.179 |
| R-free | 0.19770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.380 |
| 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] | 49.408 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.129 | |
| Rpim | 0.055 | 0.560 |
| Number of reflections | 189994 | 9166 |
| <I/σ(I)> | 16.1 | 1.9 |
| Completeness [%] | 99.9 | 97.9 |
| Redundancy | 12.5 | 12.4 |
| CC(1/2) | 0.999 | 0.590 |
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. |
