4PLC

Crystal structure of ancestral apicomplexan lactate dehydrogenase with malate.

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 63
Unit cell lengths	134.369, 134.369, 159.025
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.955 - 1.500
R-factor	0.1339
Rwork	0.124
R-free	0.15200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.982
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	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.095	1.368
Number of reflections	258762
<I/σ(I)>	15.8	0.93
Completeness [%]	99.5	96.9
Redundancy	7.4	3.5

Crystallization Conditions

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