9F1Q

Crystal structure of a DyP-type peroxidase Fireprot 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	2022-11-10
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97926
Spacegroup name	P 32 2 1
Unit cell lengths	144.949, 144.949, 177.158
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.160 - 2.350
R-factor	0.2195
Rwork	0.219
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.631
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.080	2.450
High resolution limit [Å]	2.350	2.350
Rpim	0.057	0.292
Number of reflections	89670	14296
<I/σ(I)>	9.29
Completeness [%]	99.9
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	0.2 M sodium iodide, 0.1 M Bis-Tris propane pH 6.5 and 20 % (w/v) PEG 3350