5J9B

Crystal structure of peroxiredoxin Asp f3

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	2014-05-02
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.980, 68.490, 89.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.981 - 2.100
R-factor	0.1859
Rwork	0.183
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f82
RMSD bond length	0.007
RMSD bond angle	1.081
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.000	2.150
High resolution limit [Å]	2.100	2.100
Number of reflections	19588
<I/σ(I)>	9.1	1.99
Completeness [%]	99.8	100
Redundancy	4.6	4.5
CC(1/2)	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 MES pH 6.5, 27% PEG 3350, 25 mM NaCl