8U48
Crystal structure of Bacteroides thetaiotamicron BT1285 D161A-E163A inactive Endoglycosidase in complex with high-mannose N-glycan (Man9GlcNAc2) substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.919, 71.260, 80.487 |
| Unit cell angles | 90.00, 94.63, 90.00 |
Refinement procedure
| Resolution | 28.870 - 1.900 |
| R-factor | 0.1905 |
| Rwork | 0.189 |
| R-free | 0.22190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond angle | 12.298 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.238 | 0.886 |
| Rpim | 0.109 | 0.443 |
| Number of reflections | 49043 | 2458 |
| <I/σ(I)> | 18.2 | |
| Completeness [%] | 98.8 | 98.3 |
| Redundancy | 4.7 | 3.7 |
| CC(1/2) | 0.987 | 0.636 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 297 | 0.056 M Sodium phosphate monobasic monohydrate, 1.344 M Potassium phosphate dibasic, pH 8.2. |
