7BYA

Malate Dehydrogenase from Geobacillus stearothermophilus (gs-MDH) complexed with Oxaloacetic Acid (OAA) and Adenosine 5'-Diphosphoribose (APR)

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	83.327, 103.220, 150.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.159 - 2.200
Rwork	0.180
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7by8
RMSD bond length	0.007
RMSD bond angle	1.469
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.160	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.111	0.441
Number of reflections	66776	4459
<I/σ(I)>	21.8	8.1
Completeness [%]	100.0
Redundancy	27.6
CC(1/2)	0.999	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris-HCl (pH 7.0), 16 % PEG 2000 MME, 2 mM OAA, and 2 mM NAD+