8HR6

leucine DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ from Bacillus thuringiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-29
Detector	Bruker PHOTON II
Wavelength(s)	1.00
Spacegroup name	P 4 21 2
Unit cell lengths	121.434, 121.434, 178.472
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.790 - 3.520
R-factor	0.232
Rwork	0.230
R-free	0.27867
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.380
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.790	3.850
High resolution limit [Å]	3.520	3.520
Number of reflections	17215	4016
<I/σ(I)>	7.8
Completeness [%]	99.8
Redundancy	12.6
CC(1/2)	0.995	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% glycerol, 3.75% isopropanol, 1.5M ammonium sulfate