9LR5
Crystal structure of Bacteroides thetaiotaomicron GH84 O-GlcNAcase D243N mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 186.136, 52.787, 79.827 |
| Unit cell angles | 90.00, 97.44, 90.00 |
Refinement procedure
| Resolution | 19.884 - 3.099 |
| R-factor | 0.2417 |
| Rwork | 0.239 |
| R-free | 0.29690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wzh |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.483 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.270 |
| High resolution limit [Å] | 3.099 | 3.099 |
| Number of reflections | 26890 | 4143 |
| <I/σ(I)> | 5.52 | |
| Completeness [%] | 98.5 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.992 | 0.431 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M Magnesium chloride hexahydrate, 0.1 M TRIS hydrochloride pH 8.5, 15% w/v Polyethylene glycol 4,000 |
