7B81

Crystal structure of Azotobacter vinelandii L-rhamnose 1-dehydrogenase (NAD 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	68.507, 95.500, 70.934
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.791 - 2.092
R-factor	0.2781
Rwork	0.276
R-free	0.30940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	The apo-form of AvLRA1
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]	47.750	47.750	2.220
High resolution limit [Å]	2.090	6.230	2.090
Rmerge	0.095	0.037	1.251
Rmeas	0.103	0.040	1.352
Total number of observations	367008
Number of reflections	52887	2005	8417
<I/σ(I)>	11.01	43.15	1.04
Completeness [%]	99.6	99.7	97.9
Redundancy	6.939	6.89	7.011
CC(1/2)	0.999	0.999	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris-HCl (pH 8.5), 0.2 M Li2SO4, 25% (w/v) PEG 3350