4PLF

Crystal structure of ancestral apicomplexan lactate 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	C 2 2 21
Unit cell lengths	113.440, 143.190, 91.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.459 - 1.350
R-factor	0.1207
Rwork	0.120
R-free	0.14390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pzf
RMSD bond length	0.022
RMSD bond angle	1.897
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	1.430
High resolution limit [Å]	1.350	1.350
Rmerge	0.077	1.230
Number of reflections	161490
<I/σ(I)>	18.26	1.54
Completeness [%]	99.5	97.3
Redundancy	9.5	7

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