1OKT

X-ray Structure of Glutathione S-Transferase from the Malarial Parasite Plasmodium falciparum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Spacegroup name	P 21 21 2
Unit cell lengths	89.360, 63.000, 75.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 * - 1.900
R-factor	0.222
Rwork	0.222
R-free	0.25700 *
Structure solution method	SIRAS
RMSD bond length	0.005
RMSD bond angle	20.900 *
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.900	1.900 *
Rmerge	0.052
Number of reflections	33867
<I/σ(I)>	23.6
Completeness [%]	98.9	98.8 *
Redundancy	5.6	3.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.8 *	25 *	pH 8.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium formate	1.5 (M)
2	1	drop	sodium phosphate	2.5 (mM)
3	1	drop		15 (mM)	pH7.8
4	1	drop	protein	4.3 (mg/ml)
5	1	reservoir	sodium formate	3 (M)