6Y91

Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-16
Detector	Bruker PHOTON II
Wavelength(s)	1.540
Spacegroup name	P 21 21 21
Unit cell lengths	84.620, 107.420, 145.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.270 - 2.500
R-factor	0.241
Rwork	0.239
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nfr
RMSD bond length	0.007
RMSD bond angle	1.323
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((dev_3753: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.270	2.570
High resolution limit [Å]	2.500	2.500
Rmerge	0.200	1.100
Number of reflections	46208	3249
<I/σ(I)>	9.3	2.1
Completeness [%]	99.7	96.6
Redundancy	16.8	16.3
CC(1/2)	0.990	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.4 M trisodium citrate, 0.1 M Hepes, 10 mM NADH