9H7Z

Aspergillus niger Glucose Oxidase bound to Ba2+ ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-04
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.97624
Spacegroup name	P 1 21 1
Unit cell lengths	85.219, 82.251, 103.300
Unit cell angles	90.00, 106.27, 90.00

Refinement procedure

Resolution	37.950 - 1.710
R-factor	0.1777
Rwork	0.177
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.897
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.21rc1_5127)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.160	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.082	2.687
Rpim	0.051	1.647
Number of reflections	147832	7341
<I/σ(I)>	10.9	0.7
Completeness [%]	99.1	99.9
Redundancy	7	7.2
CC(1/2)	0.999	0.294

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	298	20% PEG 4000, 0.2 M sodium bromide, 2 mM barium chloride, 30 mM sodium acetate