9VAE

Crystal structure of alanine dehydrogenase-like protein from Thermus thermophilus

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]	95
Detector technology	PIXEL
Collection date	2019-06-01
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1
Spacegroup name	P 63 2 2
Unit cell lengths	86.060, 86.060, 178.203
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.500 - 2.500
R-factor	0.22812
Rwork	0.225
R-free	0.28578
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	1.231
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.500	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.128	0.857
Rmeas	0.131	0.880
Rpim	0.030	0.196
Total number of observations		30547
Number of reflections	14250	1551
<I/σ(I)>	18.1	4.4
Completeness [%]	100.0
Redundancy	19	19.7
CC(1/2)	0.999	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Magnesium formate dihydrate