8TDE
Structure of glucose bound Bacteroides thetaiotaomicron 3-Keto-2-hydroxy-glucal-hydratase BT2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-06-07 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.1807 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.037, 81.171, 103.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.720 - 1.850 |
Rwork | 0.192 |
R-free | 0.22960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3osd |
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] | 43.720 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.089 | 1.365 |
Rmeas | 0.098 | 1.483 |
Rpim | 0.039 | 0.572 |
Total number of observations | 343709 | 22575 |
Number of reflections | 56186 | 3456 |
<I/σ(I)> | 11.5 | 1.3 |
Completeness [%] | 99.9 | |
Redundancy | 6.1 | 6.5 |
CC(1/2) | 0.996 | 0.588 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M Potassium Citrate 22% PEG 3350 |