7KIZ

reduced human peroxiredoxin 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	229.800, 88.100, 127.100
Unit cell angles	90.00, 100.00, 90.00

Refinement procedure

Resolution	48.330 - 1.700
R-factor	0.1844
Rwork	0.182
R-free	0.22050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qmv
RMSD bond length	0.011
RMSD bond angle	1.049
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]	49.670	1.740
High resolution limit [Å]	1.700	1.700
Rmeas	0.116	3.025
Number of reflections	271919	19847
<I/σ(I)>	8.9	0.6
Completeness [%]	99.3	98.5
Redundancy	6.7	6.4
CC(1/2)	0.998	0.186

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 ammonium sulfate