8BVK
The crystal structure of O-glycoside cleaving beta-eliminase from A. tumefaciens AtOGE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.580, 93.670, 123.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.840 - 2.000 |
R-factor | 0.1758 |
Rwork | 0.174 |
R-free | 0.21750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.787 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (v1.16-3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.840 | 2.067 |
High resolution limit [Å] | 1.995 | 1.995 |
Rmerge | 0.079 | 0.291 |
Rmeas | 0.083 | 0.304 |
Rpim | 0.023 | 0.086 |
Number of reflections | 55224 | 2699 |
<I/σ(I)> | 20.3 | 6.24 |
Completeness [%] | 99.0 | 91.99 |
Redundancy | 12.5 | 12 |
CC(1/2) | 0.999 | 0.985 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.2 M ammonium chloridenitrate, containing 20% (w/v) PEG 3350; 10 mg/mL AtOGE1 in buffer C (10 mM HEPES buffer pH 7.0 containing 150 mM NaCl and 0.1 mM TCEP) and 0.04 mM MnCl2 |