5JCG

Structure of Human Peroxiredoxin 3 as three stacked rings

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	133.188, 168.730, 221.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.270 - 2.800
R-factor	0.1849
Rwork	0.183
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zye
RMSD bond length	0.009
RMSD bond angle	1.378
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.270	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.176	0.713
Number of reflections	61455
<I/σ(I)>	6.6
Completeness [%]	99.8	99.7
Redundancy	12.7	12.3
CC(1/2)	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	12.5% PEG1000, 12.5% PEG3350. 12.5% MPD, 0.02 M alcohol additives at pH 8.5 (Gorrec, 2009)