9FYZ
Crystal structure of SusA amylase from Bacteroides thetaiotaomicron covalently bound to alpha-1,6 branched pseudo-trisaccharide activity-based probe
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 | 2023-01-22 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 105.978, 105.978, 753.691 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 58.250 - 2.430 |
| R-factor | 0.23246 |
| Rwork | 0.230 |
| R-free | 0.28148 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.445 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.250 | 2.490 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Rmerge | 0.180 | |
| Rpim | 0.040 | |
| Number of reflections | 212465 | 10398 |
| <I/σ(I)> | 12 | |
| Completeness [%] | 100.0 | |
| Redundancy | 21.4 | |
| CC(1/2) | 1.000 | 0.320 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 30 mM sodium fluoride, 30 mM sodium bromide, 30 mM sodium iodide, 50 mM MES pH 6.5, 50 mM imidazole, 20% (v/v) glycerol and 10% (w/v) PEG 4000 |
