7DIO

Structure of PfGrx1 with iron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2013-07-08
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	48.142, 48.142, 82.832
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.071 - 1.899
R-factor	0.1478
Rwork	0.145
R-free	0.20450
Structure solution method	MIRAS
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.15rc1_3423)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.899	5.160	1.900
Rmerge	0.089	0.067	0.576
Number of reflections	9229	529	442
<I/σ(I)>	10.1
Completeness [%]	99.9	98.7	100
Redundancy	11.4	10.3	11.4

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, 0.02 M amino acids, 0.1 M MOPS/HEPES sodium