9EVV

His579Leu variant of L-arabinonate dehydratase co-crystallized with 2-oxobutyrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 21
Unit cell lengths	107.947, 148.211, 165.025
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.480 - 2.440
R-factor	0.186
Rwork	0.185
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.991
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.480	2.530
High resolution limit [Å]	2.440	2.440
Number of reflections	98251	9397
<I/σ(I)>	5.66
Completeness [%]	99.6
Redundancy	6.9
CC(1/2)	0.986	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	100mM DTT (Dithiothreitol), 14 % (w/v) PEG 10000, 200 mM Ammonium acetate, 100 mM Tris, pH 8.5