8J1C

Structure of amino acid dehydrogenase in complex with NADP

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	2022-07-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	90.965, 92.617, 162.475
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.800 - 2.200
R-factor	0.21534
Rwork	0.213
R-free	0.25957
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.379
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.800	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.072	1.192
Rmeas	0.078	1.288
Rpim	0.030	0.487
Total number of observations		30922
Number of reflections	70419	4445
<I/σ(I)>	16.8	1.7
Completeness [%]	100.0
Redundancy	6.7	7
CC(1/2)	0.992	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	PEG 8000, imidazole buffer, NaCl, NADP, lysine