9IZE
Acarbose hydrolase from human gut microbiota K. grimontii TD1, Apg mutant enzyme D336A, complexed with acarviosine-glucose
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 75.474, 75.474, 400.462 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.700 - 1.870 |
| R-factor | 0.2099 |
| Rwork | 0.208 |
| R-free | 0.24920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7vt9 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.911 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.700 | 1.910 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.095 | 0.834 |
| Number of reflections | 57650 | 3613 |
| <I/σ(I)> | 12.5 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.3 | 9.1 |
| CC(1/2) | 0.998 | 0.984 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289.15 | 0.1 M sodium chloride,0.1 M HEPES (pH 7.0),1.6 M ammonium sulfate |
