7DIU

Structure of PfGrx1 in the intermediate state with platinum and cesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-06-29
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	48.584, 48.584, 82.721
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.574 - 1.879
R-factor	0.1598
Rwork	0.156
R-free	0.19160
Structure solution method	SAD
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	1.910
High resolution limit [Å]	1.879	5.100	1.880
Rmerge	0.066	0.051	0.552
Number of reflections	17785	551	468
<I/σ(I)>	15
Completeness [%]	99.9	98.9	100
Redundancy	20.7	18.3	20.3

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