7PL0

Crystal structure of a DyP-type peroxidase 5G5 variant from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-18
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9680
Spacegroup name	P 1 21 1
Unit cell lengths	63.852, 114.760, 116.819
Unit cell angles	90.00, 104.00, 90.00

Refinement procedure

Resolution	61.960 - 2.100
R-factor	0.1912
Rwork	0.191
R-free	0.21520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7pkx
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.960	2.200
High resolution limit [Å]	2.100	2.100
Rmeas	0.122	0.111
Rpim	0.058	0.352
Number of reflections	92499	15038
<I/σ(I)>	9.02
Completeness [%]	97.1
Redundancy	3.1
CC(1/2)	0.996	0.478

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris-HCl pH 8.5, 25% (w/v) PEG 4K, 0.2 M magnesium chloride