4L5L

Crystal structure of 26 kDa GST of Clonorchis sinensis in P212121 symmetry

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-10
Detector	ADSC QUANTUM 210
Wavelength(s)	1.23985
Spacegroup name	P 21 21 21
Unit cell lengths	66.272, 67.455, 120.701
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.240 - 2.200
R-factor	0.18035
Rwork	0.177
R-free	0.23650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.778
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]	60.300	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.052	0.037	0.172
Number of reflections	27909
<I/σ(I)>	19.1
Completeness [%]	99.0	97.7	98.5
Redundancy	5.4	5.8	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M MES pH6.5, 5mM Zinc sulfate, 10% PEG MME 550, VAPOR DIFFUSION, HANGING DROP, temperature 293K