9AZ0

Crystal crystal of FC2591 peroxidase from Frankia casuarinae

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	2019-06-28
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	64.434, 71.639, 76.638
Unit cell angles	90.00, 109.23, 90.00

Refinement procedure

Resolution	24.120 - 1.650
R-factor	0.1459
Rwork	0.144
R-free	0.17960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.913
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]	25.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.048	0.389
Rpim	0.027	0.221
Number of reflections	39461	1922
<I/σ(I)>	28.97	2.07
Completeness [%]	99.4	97.8
Redundancy	4.1	3.9
CC(1/2)		0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	15 mg/mL protein plus 40 mM zinc acetate, 18% (w/v) Polyethylene glycol (PEG) 3350, cryoprotectant paratone oil