2IGY

Achiral, Cheap and Potent Inhibitors of Plasmepsins II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Collection date	2005-05-15
Wavelength(s)	1.0
Spacegroup name	P 32 1 2
Unit cell lengths	161.099, 161.099, 73.932
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.400 - 2.600
R-factor	0.21394
Rwork	0.211
R-free	0.26415
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.501
Refinement software	REFMAC (5.2.0003)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.400	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.057	0.410
Number of reflections	33401
<I/σ(I)>	14.9	1.6
Completeness [%]	99.4	98.1
Redundancy	4.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	273	pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 273K