3LU1

Crystal Structure Analysis of WbgU: a UDP-GalNAc 4-epimerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	103.15
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	1.5
Spacegroup name	P 32
Unit cell lengths	78.130, 78.130, 231.924
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.028 - 2.500
R-factor	0.207
Rwork	0.204
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sb8
RMSD bond length	0.008
RMSD bond angle	1.149
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.028	44.030	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.130	0.030	0.882
Total number of observations		2953	14708
Number of reflections	51939
<I/σ(I)>	13.5	18.4	0.8
Completeness [%]	94.7	98.4	88.8
Redundancy	4.3	4.9	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbatch under oil	10	298	Ammonium Sulfate, PEG 3350, Glycine, pH 10, Microbatch under oil, temperature 298K