7PKX

Crystal structure of a DyP-type peroxidase from Bacillus subtilis in P3121 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 31 2 1
Unit cell lengths	95.271, 95.271, 181.244
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	75.092 - 2.491
R-factor	0.1931
Rwork	0.193
R-free	0.19310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4grc
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MoRDa
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.092	2.590
High resolution limit [Å]	2.491	2.491
Rmeas	0.168
Rpim	0.056
Number of reflections	33961	5374
<I/σ(I)>	10.37
Completeness [%]	99.7
Redundancy	6.3
CC(1/2)	0.997	0.306

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.05 M potassium phosphate monobasic and 15% (w/v) PEG 8K