7DJ0

Structure of PfGrx1 in the reduced state using BME

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	48.015, 48.015, 82.752
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.007 - 1.670
R-factor	0.152
Rwork	0.150
R-free	0.18030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hjm
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15rc1_3423)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.700
High resolution limit [Å]	1.670	4.530	1.670
Rmerge	0.058	0.032	0.469
Total number of observations	75485
Number of reflections	13313	750	631
<I/σ(I)>	13.2
Completeness [%]	99.5	99.1	96.9
Redundancy	5.7	5.3	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, 0.02 M amino acids, 0.1 M MOPS/HEPES sodium