8ZLD

Crystal structure of PfHO from Plasmodium falciparum at 2.78 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-21
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	54.910, 55.370, 162.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.790 - 2.780
R-factor	0.20539
Rwork	0.203
R-free	0.26366
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.559
Data reduction software	MOSFLM (7.2.2)
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.400	2.930
High resolution limit [Å]	2.780	2.780
Rmerge	0.107	0.715
Rpim	0.045
Number of reflections	13064	1843
<I/σ(I)>	11.2	2.3
Completeness [%]	99.8	99.5
Redundancy	6.6	6.4
CC(1/2)	0.998	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.4M (NH4)2SO4, 0.65M Li2SO4, 0.1M sodium citrate tribasic dihydrate, pH 5.6