9AWT
Structure of the A type blood alpha-D-galactosamine galactosaminidase from Flavonifractor plautii in complex with GalN-pNP
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-19 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.180810 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.676, 166.571, 133.210 |
| Unit cell angles | 90.00, 90.21, 90.00 |
Refinement procedure
| Resolution | 46.390 - 2.300 |
| R-factor | 0.20818 |
| Rwork | 0.207 |
| R-free | 0.23374 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.453 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.390 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.083 | 0.868 |
| Rmeas | 0.099 | 1.038 |
| Rpim | 0.054 | 0.563 |
| Total number of observations | 32561 | |
| Number of reflections | 197617 | 9830 |
| <I/σ(I)> | 12.8 | 1.3 |
| Completeness [%] | 98.8 | |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.996 | 0.516 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.2 M Sodium chloride, 0.1 M Tris pH 8, 20% (w/v) PEG 6000 |
