8RDI

Crystal structure of UDP-galactose 4-epimerase from Pyrococcus horikoshii containing Y145F mutation and 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 1 21 1
Unit cell lengths	61.671, 169.978, 80.074
Unit cell angles	90.00, 97.08, 90.00

Refinement procedure

Resolution	49.660 - 3.100
R-factor	0.2233
Rwork	0.220
R-free	0.29000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.750
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]	49.660	3.290
High resolution limit [Å]	3.100	3.100
Rmerge	0.212	1.117
Rmeas	0.252	1.325
Rpim	0.135	0.706
Total number of observations	99928	15822
Number of reflections	29623	4765
<I/σ(I)>	3.9	0.8
Completeness [%]	99.8
Redundancy	3.4	3.3
CC(1/2)	0.981	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	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 NaCl, 0.1 M Na/K phosphate, pH 6.2, 50% PEG 200