1M7O

Plasmodium Falciparum Triosephosphate isomerase (PfTIM) compled to substrate analog 3-phosphoglycerate (3PG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1999-06-09
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	54.260, 51.345, 90.360
Unit cell angles	90.00, 91.38, 90.00

Refinement procedure

Resolution	20.000 - 2.400
Rwork	0.183
R-free	0.22600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Unbound PfTIM; PDB CODE 1YDV
RMSD bond length	0.013
RMSD bond angle	1.782 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.116 *	0.399 *
Total number of observations	73117 *
Number of reflections	19146
<I/σ(I)>	10.5	3.7
Completeness [%]	97.3	95.3
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	295	12% to 20% PEG 1450 in 100mm Sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP at 295K

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)	pH7.5
3	1	drop	protein	10 (mg/ml)