1O5X

Plasmodium falciparum TIM complexed to 2-phosphoglycerate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.9083
Spacegroup name	P 1 21 1
Unit cell lengths	53.491, 50.900, 89.010
Unit cell angles	90.00, 91.90, 90.00

Refinement procedure

Resolution	30.000 - 1.100
R-factor	0.1328
Rwork	0.133
R-free	0.17100 *
Structure solution method	AB INITIO
Starting model (for MR)	1ydv
RMSD bond length	0.014 *
RMSD bond angle	2.256 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.100	1.100 *
Rmerge	0.042 *	0.464 *
Total number of observations	777359 *
Number of reflections	181972 *
Completeness [%]	95.3 *	87.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	PEG 1450, Sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG1450	8-24 (%)
2	1	reservoir	sodium acetate	100 (mM)	pH4-5.0
3	1	drop	protein	10 (mg/ml)