3PR3

Crystal structure of Plasmodium falciparum glucose-6-phosphate isomerase (PF14_0341) in complex with fructose-6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	150
Detector technology	IMAGE PLATE
Collection date	2010-09-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	72.424, 118.325, 73.042
Unit cell angles	90.00, 117.30, 90.00

Refinement procedure

Resolution	32.180 - 2.450
R-factor	0.1431
Rwork	0.140
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wu8
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.076	0.036	0.259
Number of reflections	40163
<I/σ(I)>	11.3
Completeness [%]	100.0	99.3	100
Redundancy	3.8	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	1.4M Sodium Citrate 0.1M Hepes 5% MPD 5mM G6P, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K