8HYH

Structure of amino acid dehydrogenase3448

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 63 2 2
Unit cell lengths	149.621, 149.621, 137.394
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.970 - 2.390
R-factor	0.18517
Rwork	0.184
R-free	0.21121
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.894
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.020	2.480
High resolution limit [Å]	2.390	2.390
Rmerge	0.154	1.677
Rmeas	0.158	1.724
Rpim	0.035	0.397
Total number of observations	716056	69276
Number of reflections	36433	3740
<I/σ(I)>	21.1	2.3
Completeness [%]	100.0
Redundancy	19.7	18.5
CC(1/2)	0.999	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	iron (III) chloride, Jeffamine M-600, sodium citrate buffer, NAD, pyruvate