9XC8
Crystal structure of Bacteroides uniformis O-acetyltransferase
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 | 2025-09-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 93.234, 117.923, 131.459 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.980 - 1.590 |
| R-factor | 0.1896 |
| Rwork | 0.189 |
| R-free | 0.20940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.877 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21rc1_5156) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.680 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.065 | 0.981 |
| Rmeas | 0.068 | 1.021 |
| Rpim | 0.019 | 0.277 |
| Number of reflections | 96335 | 13894 |
| <I/σ(I)> | 22.3 | 3.1 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 13 | 13.2 |
| CC(1/2) | 0.999 | 0.863 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M BIS-TRIS pH 6.5, 25% w/v Polyethylene glycol 3,350 |
