6VDJ

Crystal structure of ancestral apicomplexan lactate dehydrogenase with sulfate and NADH4.

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	2019-10-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.115866
Spacegroup name	P 31 2 1
Unit cell lengths	84.695, 84.695, 196.007
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.790 - 2.000
R-factor	0.2507
Rwork	0.251
R-free	0.26190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4plg
RMSD bond length	0.006
RMSD bond angle	0.822
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.790	1.520
High resolution limit [Å]	1.430	1.430
Rmeas	0.160	383.600
Number of reflections	146503	105617
<I/σ(I)>	5.02
Completeness [%]	96.4	76.2
Redundancy	8.84	2.94
CC(1/2)	0.990	0.009

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20mg/mL protein, 2mM NADH4; well solution: 9% v/v 2-Propanol, 1.4M Ammonium Sulfate