8E75

Crystal structure of Pcryo_0616, the aminotransferase required to synthesize UDP-N-acetyl-3-amino-D-glucosaminuronic acid (UDP-GlcNAc3NA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-02
Detector	Bruker PHOTON II
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	57.828, 96.344, 139.658
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.930 - 1.250
R-factor	0.1548
Rwork	0.154
R-free	0.17040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nyu
RMSD bond length	0.008
RMSD bond angle	1.776
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.350
High resolution limit [Å]	1.250	1.250
Number of reflections	106460	21148
<I/σ(I)>	19.5	2.7
Completeness [%]	97.8	91.4
Redundancy	7.8	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Protein incubated with 5 mM UDP and 1 mM PLP. Precipitant: 18 - 22% poly(ethylene glycol) 8000, 200 mM LiCl, and 100 mM HEPPS (pH 8.0)