7F8D

Malate Dehydrogenase from Geobacillus stearothermophilus (gs-MDH) G218Y mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-21
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	77.424, 110.220, 150.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.509 - 2.400
Rwork	0.179
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7by8
RMSD bond length	0.009
RMSD bond angle	1.561
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0266)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.510	2.470
High resolution limit [Å]	2.400	2.400
Rmerge	0.091	0.390
Number of reflections	51272	4381
<I/σ(I)>	21.6	7.7
Completeness [%]	100.0
Redundancy	13.5
CC(1/2)	0.999	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20 mM Tris-HCl (pH 7.0), 12% PEG 8000, 0.2 M magnesium chloride, 2 mM oxaloacetic acid, 2 mM NAD