4I1I

Crystal structure of a putative Cytosolic malate dehydrogenase from Leishmania major Friedlin in complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	64.820, 65.130, 77.490
Unit cell angles	90.00, 110.67, 90.00

Refinement procedure

Resolution	48.500 - 1.500
R-factor	0.1459
Rwork	0.145
R-free	0.16550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h7p
RMSD bond length	0.015
RMSD bond angle	1.664
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.7.0032)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.059	0.044	0.350
Number of reflections	95941	1131	6711
<I/σ(I)>	12.27	24.22	2.78
Completeness [%]	99.2	98.1	94.2
Redundancy	3.7		2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	290	EmeraldBio PACT screen a3: 25% PEG 1500, 100mM SPG buffer pH 6.0; LemaA.01212.a.A1.P001468 at 15mg/ml + 2.5mM NAD, VAPOR DIFFUSION, SITTING DROP, temperature 290K