3TKP

Crystal structure of full-length human peroxiredoxin 4 in the reduced form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9998
Spacegroup name	C 1 2 1
Unit cell lengths	183.149, 141.120, 61.295
Unit cell angles	90.00, 103.08, 90.00

Refinement procedure

Resolution	45.120 - 2.490
R-factor	0.182
Rwork	0.180
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pn8
RMSD bond length	0.008
RMSD bond angle	1.151
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.480	5.380	2.490
Rmerge	0.054	0.035	0.300
Number of reflections	52328
<I/σ(I)>	17		2.5
Completeness [%]	98.9	95.8	99.8
Redundancy	2.5	2.5	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	290	0.8M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, 5mM DTT, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K