4ZXG

Ligandin binding site of PfGST

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-27
Detector	PSI PILATUS 6M
Wavelength(s)	1.24
Spacegroup name	P 21 21 2
Unit cell lengths	86.400, 60.900, 74.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.700
Rwork	0.183
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pa3
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.700
Rmerge	0.026
Number of reflections	273546
<I/σ(I)>	30.5
Completeness [%]	98.3
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	ammonium sulfate, MES