8RDG

Crystal structure of UDP-galactose 4-epimerase from Pyrococcus horikoshii with bound NAD

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	61.380, 78.089, 128.282
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.560 - 1.900
R-factor	0.1947
Rwork	0.193
R-free	0.23020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.863
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_4958: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.560	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.214	2.105
Rmeas	0.233	2.286
Rpim	0.090	0.883
Total number of observations	320337	20229
Number of reflections	49239	3101
<I/σ(I)>	7.1	1
Completeness [%]	99.7
Redundancy	6.5	6.5
CC(1/2)	0.993	0.489

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	Protein was concentrated to 8-10 mg/ml in 20 mM MOPS, pH 7, 0.2 mM TCEP. Crystallization solution contained 0.1 M Na-propionate/Na-cacodylate/Bis-Tris propane, pH 7, 25% (w/v) PEG1500