4ZGC

Crystal Structure Analysis of Kelch protein (with disulfide bond) from Plasmodium falciparum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-03-02
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	62.942, 117.634, 74.508
Unit cell angles	90.00, 113.77, 90.00

Refinement procedure

Resolution	36.486 - 2.500
R-factor	0.1948
Rwork	0.192
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yy8
RMSD bond length	0.009
RMSD bond angle	1.139
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.123	0.086	0.589
Rmeas	0.154	0.108	0.735
Rpim	0.091	0.064	0.436
Total number of observations	88485
Number of reflections	33667
<I/σ(I)>	8.9
Completeness [%]	98.4	98.9	96.7
Redundancy	2.6	2.5	2.6
CC(1/2)		0.965	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350