3TKQ

Crystal structure of full-length human peroxiredoxin 4 with mixed conformation

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	C 1 2 1
Unit cell lengths	108.486, 139.518, 96.197
Unit cell angles	90.00, 103.38, 90.00

Refinement procedure

Resolution	38.860 - 2.220
R-factor	0.1877
Rwork	0.186
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pn8
RMSD bond length	0.007
RMSD bond angle	1.046
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]	40.000	40.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.070	0.040	0.380
Number of reflections	69604
<I/σ(I)>	12.2
Completeness [%]	98.4	99.8	91.7
Redundancy	5.8	7.4	3.3

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, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K