1T25

Plasmodium falciparum lactate dehydrogenase complexed with NADH and 3-hydroxyisoxazole-4-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.1
Synchrotron site	SRS
Beamline	PX14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-01-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.488
Spacegroup name	I 2 2 2
Unit cell lengths	81.241, 87.185, 92.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.750 - 1.900
R-factor	0.15351
Rwork	0.152
R-free	0.18576
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ldg
RMSD bond length	0.016
RMSD bond angle	1.667
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.750	1.990
High resolution limit [Å]	1.900	1.900
Number of reflections	24119
<I/σ(I)>	19.5	4.7
Completeness [%]	99.8	100
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	MPD, Hepes, Imidazole, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K