8SYB

X-ray crystal structure of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N variant in the presence of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid and UDP-N-acetylglucosamine at pH 9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-22
Detector	Bruker PHOTON II
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	55.842, 128.195, 58.525
Unit cell angles	90.00, 113.63, 90.00

Refinement procedure

Resolution	44.790 - 2.200
R-factor	0.1939
Rwork	0.191
R-free	0.25296
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.449
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.300
High resolution limit [Å]	2.200	2.200
Number of reflections	38034	4689
<I/σ(I)>	10.7
Completeness [%]	99.4	98.4
Redundancy	7.2	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	protein incubated with 5 mM UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid and 5 mM UDP-N-acetyl-glucosamine. Precipitant used was 18-22% poly(ethylene glycol) 8000, 200 mM KCl, 100 mM CHES (pH9)