2E2G

Crystal structure of archaeal peroxiredoxin, thioredoxin peroxidase from Aeropyrum pernix K1 (pre-oxidation form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	76.204, 103.353, 104.632
Unit cell angles	105.79, 105.19, 92.68

Refinement procedure

Resolution	19.990 - 2.400
R-factor	0.15675
Rwork	0.153
R-free	0.22946
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x0r
RMSD bond length	0.024
RMSD bond angle	2.140
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	115754
Completeness [%]	87.2	71.4
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	0.1M Acetate buffer pH4.8, 0.2M calcium chloride, 10%(v/v)isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K