3ISO

Crystal structure of 26 kDa GST of Clonorchis sinensis in P3221 symmetry

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-09
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	P 32 2 1
Unit cell lengths	96.390, 96.390, 115.428
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.181
Rwork	0.179
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m9a
RMSD bond length	0.030
RMSD bond angle	2.187
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	83.480	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.058	0.031	0.130
Number of reflections	49299
<I/σ(I)>	20
Completeness [%]	99.9	99.1	100
Redundancy	10.5	10.5	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M Tris pH8.5, 2.0M Ammonium sulfate, 5mM Zinc sulfate, vapor diffusion, hanging drop, temperature 293K