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. |