8WOW

Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, I160L/G233A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99988
Spacegroup name	C 2 2 21
Unit cell lengths	101.228, 108.929, 130.862
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.110 - 2.600
R-factor	0.17582
Rwork	0.172
R-free	0.24423
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ek6
RMSD bond length	0.007
RMSD bond angle	1.557
Data reduction software	XDS (Feb 5, 2021)
Data scaling software	XDS (Feb 5, 2021)
Phasing software	MOLREP (11.0)
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.110	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.207	0.633
Rpim	0.085	0.257
Number of reflections	22589	2701
<I/σ(I)>	5.9	3.4
Completeness [%]	99.9	99.9
Redundancy	6.8	7
CC(1/2)	0.976	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	20-22% (w/v) PEG3350 and 0.16-0.18 M magnesium formate