4N11

Crystal structure of plasmodium falciparum reduced glutaredoxin 1 (PfGrx1) complexed with cisplatin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-17
Detector	RAYONIX MX-225
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	48.478, 48.478, 82.391
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.464 - 1.970
R-factor	0.1616
Rwork	0.157
R-free	0.20850
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.327
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	2.000
High resolution limit [Å]	1.970	5.350	1.970
Rmerge	0.075	0.050	0.555
Number of reflections	8372
<I/σ(I)>	10.6
Completeness [%]	99.9	98.7	99.3
Redundancy	10	9.2	8.5

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