8WOP

Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, wild-type

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	100.309, 110.847, 65.552
Unit cell angles	90.00, 106.14, 90.00

Refinement procedure

Resolution	48.230 - 2.350
R-factor	0.18041
Rwork	0.178
R-free	0.23591
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ek6
RMSD bond length	0.007
RMSD bond angle	1.456
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]	48.230	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.098	0.569
Rpim	0.062	0.374
Number of reflections	28665	2785
<I/σ(I)>	9.2	3.2
Completeness [%]	99.9	99.9
Redundancy	3.4	3.2
CC(1/2)	0.995	0.728

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