1ONF

Crystal structure of Plasmodium falciparum Glutathione reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Spacegroup name	P 41 2 2
Unit cell lengths	90.640, 90.640, 123.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.360 - 2.600
R-factor	0.25981
Rwork	0.256
R-free	0.30200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3grs
RMSD bond length	0.019 *
RMSD bond angle	2.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.780
High resolution limit [Å]	2.600	2.600
Rmerge	0.094 *	0.388 *
Number of reflections	16434
<I/σ(I)>	13.5	4.1
Completeness [%]	98.7	99.9
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *		pH 9.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	EDTA	2 (mM)	pH7.0
2	1	drop	protein	10 (mg/ml)
3	1	reservoir	PEG550 MME	14 (%(w/v))
4	1	reservoir		70 (mM)
5	1	reservoir	Bicine	70 (mM)	pH8.7-9.0