4PLV

Crystal structure of ancestral apicomplexan malate dehydrogenase with lactate.

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	59.336, 136.329, 90.810
Unit cell angles	90.00, 108.54, 90.00

Refinement procedure

Resolution	43.388 - 1.850
R-factor	0.2025
Rwork	0.202
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hjr
RMSD bond length	0.008
RMSD bond angle	1.098
Data reduction software	XDS
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.850	1.850
Rmerge	0.094	2.140
Number of reflections	112107
<I/σ(I)>	12.3	0.54
Completeness [%]	96.0	78.1
Redundancy	4.3	3.1

Crystallization Conditions

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