3TJG

Crystal Structure of human peroxiredoxin IV C51A mutant in oxidized form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	107.160, 139.070, 95.140
Unit cell angles	90.00, 102.29, 90.00

Refinement procedure

Resolution	28.960 - 2.240
R-factor	0.15997
Rwork	0.158
R-free	0.20111
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pn8
RMSD bond length	0.018
RMSD bond angle	1.618
Phasing software	PHASER
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.960	2.300
High resolution limit [Å]	2.240	2.240
Rmerge	0.049	0.584
Number of reflections	64808
<I/σ(I)>	16.5	2.6
Completeness [%]	99.8	99.8
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	48% PEG200, 0.1 M Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K