2A4V

Crystal Structure of a truncated mutant of yeast nuclear thiol peroxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6B
Synchrotron site	PAL/PLS
Beamline	6B
Temperature [K]	100
Detector technology	CCD
Collection date	2005-01-01
Detector	BRUKER PROTEUM 300
Wavelength(s)	1.12714
Spacegroup name	P 32
Unit cell lengths	37.535, 37.535, 83.256
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.167
Rwork	0.165
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.096	0.362
Total number of observations	55862 *
Number of reflections	11928	1171 *
<I/σ(I)>	12.4	3.09
Completeness [%]	98.1	97
Redundancy	4.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	283	Choi, J., (2005) Acta Crystallogr., F61, 659. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)	pH7.4
3	1	reservoir	PEG3000	20 (%(w/v))
4	1	reservoir		200 (mM)