8J1G

Structure of amino acid dehydrogenase in complex with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	63.473, 70.306, 100.137
Unit cell angles	88.65, 72.53, 86.53

Refinement procedure

Resolution	47.800 - 2.500
R-factor	0.22761
Rwork	0.225
R-free	0.27393
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.379
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.800	2.570
High resolution limit [Å]	2.500	2.500
Rmerge	0.063	1.200
Rmeas	0.068	1.300
Rpim	0.026	0.495
Total number of observations		31137
Number of reflections	56308	4614
<I/σ(I)>	18.9	1.8
Completeness [%]	98.7
Redundancy	7	6.7
CC(1/2)	0.999	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	PEG 4000, Na acetate buffer, glycerol, NADPH, arginine