9FZ2
Crystal structure of Amylase 5 (Amy5) from Ruminococcus bromii covalently bound to alpha-1,6 branched pseudo-trisaccharide activity-based probe
This is a non-PDB format compatible entry.
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 | 2023-07-01 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.7446 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.869, 94.873, 49.904 |
| Unit cell angles | 90.00, 94.64, 90.00 |
Refinement procedure
| Resolution | 44.050 - 1.400 |
| R-factor | 0.18915 |
| Rwork | 0.187 |
| R-free | 0.22234 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.690 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.050 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.160 | |
| Number of reflections | 90248 | 4525 |
| <I/σ(I)> | 6.9 | |
| Completeness [%] | 99.4 | |
| Redundancy | 7 | |
| CC(1/2) | 1.000 | 0.410 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 0.1 M SPG pH 9.0, 25% w/v PEG 1500, 1 mM 4'-octylamine-a-D-maltotriose epicyclophellitol (compound 2a) |
