7X1L

Malate dehydrogenase from Geobacillus stearothermophilus (gs-MDH) delta E311 mutant complexed with Nicotinamide Adenine Dinucleotide (NAD+)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	242.850, 82.724, 136.703
Unit cell angles	90.00, 98.59, 90.00

Refinement procedure

Resolution	48.633 - 2.280
Rwork	0.233
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7by8
RMSD bond length	0.008
RMSD bond angle	1.500
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]	48.633	2.320
High resolution limit [Å]	2.280	2.280
Number of reflections	122192	5972
<I/σ(I)>	7.8
Completeness [%]	99.8
Redundancy	3.9	4
CC(1/2)	0.999	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M CHES (pH 8.8), 20 % (w/v) PEG 8000, 2 mM NAD+