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