9HJN

Structure of UDP-Galactose-4-epimerase (GalE) bound to fragment from Diamond XChem experiment.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	.7838
Spacegroup name	P 21 21 21
Unit cell lengths	46.144, 108.327, 137.447
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.720 - 1.651
Rwork	0.190
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.647
Data reduction software	DIALS (3.8)
Data scaling software	DIALS (3.8)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.720	43.730	1.680
High resolution limit [Å]	1.650	4.860	1.650
Rmerge	0.440	0.097	8.289
Rmeas	0.473	0.104	8.900
Rpim	0.173	0.038	3.223
Number of reflections	160447	6414	7930
<I/σ(I)>	6.1	27.1	0.7
Completeness [%]	99.4	100	99.27
Redundancy	7.3	7.4
CC(1/2)	0.987	0.996	0.071

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	18% PEG 3350 0.2 M Sodium Malonate