8RDH

Crystal structure of UDP-galactose 4-epimerase from Pyrococcus horikoshii with bound NAD and GDP-L-fucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.965459
Spacegroup name	P 21 21 21
Unit cell lengths	57.331, 97.262, 117.252
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.630 - 2.400
R-factor	0.1914
Rwork	0.189
R-free	0.24540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.702
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.630	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.193	1.113
Rmeas	0.220	1.346
Rpim	0.104	0.743
Total number of observations	101080	6739
Number of reflections	25732	2395
<I/σ(I)>	7.9	1.1
Completeness [%]	97.8
Redundancy	3.9	2.8
CC(1/2)	0.987	0.478

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	Protein was concentrated in 20 mM MOPS, pH 7, 0.2 mM TCEP to 8-10 mg/ml. Crystallization solution contained 0.2 M KSCN, 0.1 M Bis-Tris propane, pH 7.5, 20% (w/v) PEG 3350