6KY4

Crystal structure of Sulfiredoxin from Arabidopsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 43 3 2
Unit cell lengths	102.544, 102.544, 102.544
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.863 - 3.200
R-factor	0.2492
Rwork	0.244
R-free	0.29380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xw3
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.310
High resolution limit [Å]	3.200	6.890	3.200
Rmerge	0.098	0.073	2.261
Rmeas	0.099	0.074	2.292
Rpim	0.018	0.015	0.372
Total number of observations	124863
Number of reflections	3377	395	330
<I/σ(I)>	12
Completeness [%]	99.9	99	100
Redundancy	37	24.9	37.2
CC(1/2)		0.998	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	289	0.8 M NaH2PO4/1.2 M KH2PO4, acetate pH 4.5