4PLG

Crystal structure of ancestral apicomplexan lactate 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	C 2 2 21
Unit cell lengths	113.680, 143.260, 91.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.525 - 1.192
R-factor	0.1673
Rwork	0.167
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pzf
RMSD bond length	0.008
RMSD bond angle	1.279
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.220
High resolution limit [Å]	1.190	1.190
Rmerge	0.064	2.890
Number of reflections	803215
<I/σ(I)>	9.17	0.44
Completeness [%]	87.1	39.4
Redundancy	3.5	2.1

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