8WOV

Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, 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	101.490, 109.243, 130.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.120 - 2.250
R-factor	0.17148
Rwork	0.168
R-free	0.22764
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ek6
RMSD bond length	0.008
RMSD bond angle	1.568
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]	49.120	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.132	0.624
Rpim	0.054	0.257
Number of reflections	34777	3166
<I/σ(I)>	9.4	3.1
Completeness [%]	100.0	100
Redundancy	6.9	6.8
CC(1/2)	0.994	0.844

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