7WWX

Crystal structure of Herbaspirillum huttiense L-arabinose 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	2021-10-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	86.509, 83.562, 81.927
Unit cell angles	90.00, 113.04, 90.00

Refinement procedure

Resolution	42.820 - 1.360
R-factor	0.1691
Rwork	0.168
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nug
RMSD bond length	0.013
RMSD bond angle	1.807
Data scaling software	XDS
Phasing software	BALBES
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.820	42.790	1.380
High resolution limit [Å]	1.360	7.450	1.360
Rmerge	0.236	0.104	2.032
Rmeas	0.249	0.109	2.154
Rpim	0.079	0.034	0.701
Total number of observations		7788	51108
Number of reflections	114656	736	5533
<I/σ(I)>	8.3	21.5	1.6
Completeness [%]	99.8	99.6	97.9
Redundancy	9.9	10.6	9.2
CC(1/2)	0.993	0.995	0.576

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Sodium formate, 20% PEG3350