9AZ1

Crystal structure of PR9465 peroxidase from Pseudomonas rhizosphaerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-07-05
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	94.552, 94.552, 98.498
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.020 - 2.300
R-factor	0.2074
Rwork	0.203
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.441
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.020	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.113	0.462
Rpim	0.034	0.215
Number of reflections	18809	986
<I/σ(I)>	20.42	2.09
Completeness [%]	98.1
Redundancy	11.3
CC(1/2)		0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	30 mg/mL protein with 0.1 M Bis-Tris pH 6.5, 1.8 M ammonium sulfate, 2% (v/v) PEG 550 monomethyl ether (MME), cryoprotectant 2% (v/v) PEG 200 and 2% (w/v) glycerol