5BRB

Crystal structure of Q64E mutant of Triosephosphate isomerase from Plasmodium falciparum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-09-07
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.541
Spacegroup name	P 1 21 1
Unit cell lengths	39.020, 75.350, 74.130
Unit cell angles	90.00, 97.72, 90.00

Refinement procedure

Resolution	73.570 - 2.530
R-factor	0.232
Rwork	0.229
R-free	0.29270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o5x
RMSD bond length	0.007
RMSD bond angle	1.070
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.350	73.458	2.650
High resolution limit [Å]	2.526	7.950	2.510
Rmerge		0.092	0.441
Rmeas	0.187
Rpim	0.101	0.061	0.298
Total number of observations	45770	1521	5215
Number of reflections	14204
<I/σ(I)>	5.6	9.4	2.3
Completeness [%]	97.2	99.2	81.4
Redundancy	3.2	3.2	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	28% PEG 1450, 100mM HEPES, 10mM calcium chloride, 0.5mM DTT, 0.5mM sodium azide