6KRR

Peroxiredoxin from Aeropyrum pernix K1 (ApPrx) 0Cys W210A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 2 21
Unit cell lengths	98.496, 98.711, 194.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.404 - 2.150
Rwork	0.169
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e2g
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.092	0.408
Number of reflections	103512	5090
<I/σ(I)>	13.4	4.9
Completeness [%]	100.0
Redundancy	7.7
CC(1/2)	0.997	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2 M Ammonium phosphate monobasic, 0.1 M Tris pH 8.5, 50% v/v (+/-)-2-Methyl-2,4-pentanediol