7DIW

Structure of PfGrx1 in the intermediate state with mercury

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-07-17
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	48.169, 48.169, 83.134
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.084 - 1.671
R-factor	0.153
Rwork	0.151
R-free	0.19330
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	0.059	0.039	0.390
Total number of observations	147592
Number of reflections	13437	756	631
<I/σ(I)>	12
Completeness [%]	99.6	99.1	98.4
Redundancy	11	10.2	10.1

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