7KJ0

hyperoxidized human peroxiredoxin 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	231.000, 88.000, 125.600
Unit cell angles	90.00, 100.20, 90.00

Refinement procedure

Resolution	49.600 - 2.290
R-factor	0.1849
Rwork	0.182
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kiz
RMSD bond length	0.002
RMSD bond angle	0.571
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.600	2.350
High resolution limit [Å]	2.290	2.290
Rmeas	0.461	5.327
Number of reflections	109799	8119
<I/σ(I)>	10.6	0.9
Completeness [%]	97.9	98.8
Redundancy	22.5
CC(1/2)	0.995	0.318

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.1 M Tris pH 8.5, 25% PEG 3350, 0.2 M magnesium chloride