8HYE

Structure of amino acid dehydrogenase-2752 with ligand

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	2016-11-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 64 2 2
Unit cell lengths	194.601, 194.601, 158.472
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.690 - 2.200
R-factor	0.18472
Rwork	0.183
R-free	0.22535
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.815
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.106	0.042	0.736
Total number of observations	1737760
Number of reflections	89460	8576	8235
<I/σ(I)>	4.3
Completeness [%]	99.8	100	97
Redundancy	10.2	10.4	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	2-propanol, PEG 4000, Hepes buffer, NAD, pyruvate