9AYU
Structure of the A type blood alpha-D-galactosamine galactosaminidase D463A mutant from Flavonifractor plautii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-22 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.033200 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 102.326, 164.290, 131.763 |
| Unit cell angles | 90.00, 90.20, 90.00 |
Refinement procedure
| Resolution | 48.900 - 2.000 |
| R-factor | 0.16401 |
| Rwork | 0.163 |
| R-free | 0.18617 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.558 |
| 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] | 48.900 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.170 | 1.256 |
| Rmeas | 0.193 | 1.422 |
| Rpim | 0.090 | 0.661 |
| Total number of observations | 65499 | |
| Number of reflections | 292440 | 14443 |
| <I/σ(I)> | 8.2 | 1.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 4.4 | 4.5 |
| CC(1/2) | 0.992 | 0.480 |
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 |
