3TKR

Crystal structure of full-length human peroxiredoxin 4 with T118E mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9998
Spacegroup name	P 1 21 1
Unit cell lengths	61.710, 139.117, 178.970
Unit cell angles	90.00, 96.32, 90.00

Refinement procedure

Resolution	46.004 - 2.100
R-factor	0.1516
Rwork	0.150
R-free	0.17820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pn8
RMSD bond length	0.007
RMSD bond angle	1.048
Data reduction software	HKL-2000
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	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.054	0.035	0.183
Number of reflections	171228
<I/σ(I)>	12.1
Completeness [%]	98.2	99.9	83.8
Redundancy	3.8	3.8	3.2

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