7QZA

Crystal structure of a DyP-type peroxidase 29E4 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	2019-03-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	72.957, 78.813, 98.931
Unit cell angles	91.02, 92.93, 94.00

Refinement procedure

Resolution	78.602 - 2.698
R-factor	0.1892
Rwork	0.189
R-free	0.18920
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]	98.780	2.800
High resolution limit [Å]	2.698	2.700
Rpim	0.040
Number of reflections	54918	7338
<I/σ(I)>	11.55
Completeness [%]	90.9
Redundancy	2
CC(1/2)	0.998	0.497

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	0.02 M magnesium chloride hexahydrate, 0.02 M calcium chloride dehydrate, 0.1 M Tris-BICINE pH 8.5, 37.5 % v/v of a precipitant mixture composed of 12.5 % v/v MPD, 12.5 % w/v PEG 1000, 12.5% w/v PEG 3350