1U88

Crystal Structure Of The 26 Kda Glutathione S-Transferase Y7F mutant From Schistosoma Japonicum Complexed With S-Octyl Glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200HB
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2003-09-17
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 63
Unit cell lengths	116.100, 116.100, 73.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.730 - 3.500
R-factor	0.22
Rwork	0.220
R-free	0.31700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	GlutathioneS-transferase Y7F mutant from Schistosoma Japonicum
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.690
High resolution limit [Å]	3.500	3.500
Rmerge	0.150	0.470
Number of reflections	6280
<I/σ(I)>	5.7
Completeness [%]	82.5	82.5
Redundancy	2.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	297	0.2M sodium citrate, 2M ammonium sulphate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 297K