1W6H

Novel plasmepsin II-inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Spacegroup name	P 1 21 1
Unit cell lengths	44.210, 77.614, 84.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.510 - 2.240
R-factor	0.2
Rwork	0.197
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.582
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall
Low resolution limit [Å]	85.000
High resolution limit [Å]	2.200
Rmerge	0.070
Number of reflections	25914
Completeness [%]	99.0
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1