4N0Z

Crystal structure of cisplatin bound to a plasmodium falciparum glutaredoxin 1 (PfGrx1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-06-26
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	48.400, 48.400, 82.612
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.200 - 1.700
R-factor	0.1558
Rwork	0.155
R-free	0.17150
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.162
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AutoSol
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.046	0.031	0.392
Number of reflections	12755
<I/σ(I)>	18.2
Completeness [%]	99.0	99	97.6
Redundancy	22.3	20.6	22.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	12.5%(W/V) PEG1000, 12.5%(W/V) PEG3350, 12.5%(V/V) MPD, 0.02M AMINO ACIDS, 0.1M MOPS/HEPES SODIUM,, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K