4PLH

Crystal structure of ancestral apicomplexan malate dehydrogenase with oxamate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	90
Detector technology	CCD
Collection date	2012-09-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.115866
Spacegroup name	P 21 21 21
Unit cell lengths	89.420, 104.570, 142.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.136 - 1.900
R-factor	0.1812
Rwork	0.180
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hjr
RMSD bond length	0.010
RMSD bond angle	1.294
Data reduction software	XDS
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.840
High resolution limit [Å]	1.730	1.730
Rmerge		1.960
Number of reflections	250843
<I/σ(I)>	10.59	0.31
Completeness [%]	93.6	66.1
Redundancy	3.7	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20mg/mL protein with 2mM NADH/L-oxamate; well solution: 20% (w/v) PEG-1500, 0.1M HEPES, pH7.5