5CFJ

Structural and functional attributes of malaria parasite Ap4A hydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-22
Detector	MAR CCD 165 mm
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	31.491, 44.348, 94.677
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.713 - 1.250
R-factor	0.1712
Rwork	0.170
R-free	0.19310
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.144
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.170
High resolution limit [Å]	1.150	3.120	1.150
Rmerge	0.040	0.020	0.730
Rmeas	0.044	0.023	0.814
Rpim	0.019	0.010	0.354
Total number of observations	251771
Number of reflections	47576
<I/σ(I)>	10
Completeness [%]	99.1	98	98.6
Redundancy	5.3	5.1	5.1
CC(1/2)		0.999	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Lithium sulphate, sodium acetate, ethylene glycol, PEG400