7QYZ

Crystal structure of a DyP-type peroxidase 6E10 variant from Pseudomonas putida

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	2019-06-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 2 3
Unit cell lengths	108.721, 108.721, 108.721
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.622 - 2.452
Rwork	0.222
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PpDyP WT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.622	2.540
High resolution limit [Å]	2.450	2.450
Rpim	0.028	0.319
Number of reflections	14987	2546
<I/σ(I)>	17
Completeness [%]	93.5
Redundancy	4.9
CC(1/2)	0.990	0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293.15	0.075 M sodium bromide, 0.05 M sodium fluoride, 0.1 M HEPES pH 7.8, 22.5 % v/v PEG Smear Broad and 0.075 M sodium iodide