7DIQ

Structure of PfGrx1 with zinc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-07-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	48.466, 48.466, 82.417
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.233 - 1.870
R-factor	0.1549
Rwork	0.152
R-free	0.20110
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	1.900
High resolution limit [Å]	1.870	5.070	1.870
Rmerge	0.073	0.037	0.441
Total number of observations	100487
Number of reflections	9645	556	452
<I/σ(I)>	11.7
Completeness [%]	99.0	98.8	98
Redundancy	10.4	9.4	10.2

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