3CH2

Crystal Structure Analysis of SERA5E from plasmodium falciparum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	103.590, 103.590, 72.132
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.460 - 1.800
R-factor	0.1677
Rwork	0.166
R-free	0.19758
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ch3
RMSD bond length	0.016
RMSD bond angle	1.459
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.093	0.048	0.809
Number of reflections	26794
<I/σ(I)>	12.6
Completeness [%]	100.0	99.9	100
Redundancy	4.2	4.3	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	18% PEG 3350, 0.2M CaCl2, unbuffered, VAPOR DIFFUSION, SITTING DROP, temperature 298K