5BMW

Crystal structure of T75V 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	2014-04-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.541
Spacegroup name	P 1 21 1
Unit cell lengths	39.210, 76.020, 74.360
Unit cell angles	90.00, 97.47, 90.00

Refinement procedure

Resolution	73.730 - 1.860
R-factor	0.134
Rwork	0.131
R-free	0.18240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o5x
RMSD bond length	0.019
RMSD bond angle	1.802
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]	73.730	38.877	1.960
High resolution limit [Å]	1.859	5.880	1.860
Rmerge		0.040	0.156
Rmeas	0.061
Rpim	0.025	0.018	0.075
Total number of observations	203849	6796	27042
Number of reflections	36392
<I/σ(I)>	22.2	33	9.8
Completeness [%]	99.8	99.8	98.4
Redundancy	5.6	5.6	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	296	20% PEG 1450, 100 mM MES buffer, 10 mM Calcium chloride, 0.5 mM EDTA, 0.5 mM DTT, 0.5 mM sodium azide