8VSR

Co-crystal structure of Prx with Esub1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	108.15
Detector technology	IMAGE PLATE
Collection date	2022-10-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	67.494, 67.494, 232.208
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.700 - 2.690
R-factor	0.2298
Rwork	0.228
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.529
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.700	2.786
High resolution limit [Å]	2.690	2.690
Rmerge	0.141	0.872
Rpim	0.045
Number of reflections	16490	2073
<I/σ(I)>	13.3	2.2
Completeness [%]	99.5	95.82
Redundancy	10.8
CC(1/2)	0.998	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		278	50% PEG 200, 200mM sodium chloride, 100mM sodium/potassium phosphate pH 6.2, 12mg/mL protein