8OHY

Native Structure of Dictyostelium discoideum dye-decolorizing peroxidase

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	2022-10-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 41 21 2
Unit cell lengths	99.880, 99.880, 73.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.670 - 1.950
R-factor	0.2062
Rwork	0.204
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.658
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20-4459_9999: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.670	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.272	4.643
Number of reflections	27351	2472
<I/σ(I)>	12.02	0.6
Completeness [%]	98.5	91.55
Redundancy	26.7	26
CC(1/2)	0.999	0.411

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	HEPES-NaOH, PEG 6000, ZnCl