9VQ5

Crystal structure of Peroxiredoxin I in complex with SAC

This is a non-PDB format compatible entry.

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	2025-06-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	65.697, 78.709, 81.346
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.870 - 1.500
R-factor	0.171
Rwork	0.171
R-free	0.19840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.854
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]	42.870	1.554
High resolution limit [Å]	1.500	1.500
Number of reflections	68100	89204
<I/σ(I)>	21.66
Completeness [%]	99.8
Redundancy	12.9
CC(1/2)	0.999	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	Tcasimate pH 8.0 (v/v) and 20% PEG3350 (v/v)