7C0E

Crystal structure of Azospirillum brasilense L-2-keto-3-deoxyarabonate dehydratase (2-oxobutyrate-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	2019-10-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	74.524, 81.198, 142.835
Unit cell angles	85.71, 88.43, 75.39

Refinement procedure

Resolution	47.954 - 2.204
R-factor	0.2235
Rwork	0.221
R-free	0.26910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c0c
RMSD bond length	0.003
RMSD bond angle	0.621
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.954	47.954	2.340
High resolution limit [Å]	2.200	6.560	2.200
Rmerge	0.128	0.039	0.693
Rmeas	0.166	0.051	0.902
Total number of observations	709648
Number of reflections	160387	11932	50018
<I/σ(I)>	5.54	19.52	1.16
Completeness [%]	95.9	96.2	94.6
Redundancy	2.266	2.297	2.22
CC(1/2)	0.989	0.997	0.529

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M magnesium chloride, 0.1 M Tris-HCl, 22-27% PEG 3350