4PLT

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 1 21 1
Unit cell lengths	59.527, 136.311, 90.238
Unit cell angles	90.00, 108.78, 90.00

Refinement procedure

Resolution	43.432 - 1.600
R-factor	0.1897
Rwork	0.189
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hjr
RMSD bond length	0.010
RMSD bond angle	1.273
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	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.080	2.360
Number of reflections	350147
<I/σ(I)>	6.66	0.41
Completeness [%]	98.5	97.9
Redundancy	2.5	2.4

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