9B7A

Crystal structure of peroxiredoxin 1 with RA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	66.762, 78.573, 82.689
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.330 - 1.710
R-factor	0.1662
Rwork	0.165
R-free	0.19190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.805
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.330	1.774
High resolution limit [Å]	1.710	1.713
Number of reflections	47617	4637
<I/σ(I)>	18.64
Completeness [%]	99.9
Redundancy	12.8
CC(1/2)	0.994	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	10% v/v Tacsimate pH 7.5, 0.1M MES pH 6.5, and 25% PEG4000