8XVW

Crystal structure of N-terminal deletion mutant of Staphylococcal Thiol Peroxidase

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	2023-07-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	38.273, 72.861, 148.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.140 - 1.800
R-factor	0.1579
Rwork	0.156
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.671
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.140	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	38875	3585
<I/σ(I)>	27.48
Completeness [%]	99.1	93.41
Redundancy	1.9	1.9
CC(1/2)	1.000	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	PEG400, Ammonium Sulfate, HEPES