7BY8

Malate Dehydrogenase from Geobacillus stearothermophilus (gs-MDH)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	81.682, 108.679, 146.643
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.619 - 1.945
Rwork	0.206
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tl2
RMSD bond length	0.008
RMSD bond angle	1.515
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.945	1.950
Rmerge	0.079	0.596
Number of reflections	95978	4731
<I/σ(I)>	11.2
Completeness [%]	99.7
Redundancy	11.8
CC(1/2)	0.998	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES (pH 7.5), 10 % polyethylene glycol (PEG) 6000, 5 % 2-Methyl-2,4-pentanediol (MPD)