7DO7

Crystal structure of Azotobacter vinelandii L-rhamnose 1-dehydrogenase(NAD and L-rhamnose bound-form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	68.470, 97.931, 70.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.989 - 1.570
R-factor	0.2243
Rwork	0.223
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	48.970	1.600
High resolution limit [Å]	1.570	8.600	1.570
Rmerge	0.291	0.070	1.008
Rmeas	0.303	0.073	1.046
Rpim	0.081	0.019	0.278
Total number of observations		5586	45576
Number of reflections	66716	481	3285
<I/σ(I)>	8.7	18.7	1.9
Completeness [%]	100.0	99.2	100
Redundancy	13.7	11.6	13.9
CC(1/2)	0.991	0.999	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris-HCl (pH 8.0), 0.2 M NaCl, 24.5% (w/v) PEG 3350