7ES1

glycosyltransferase in complex with UDP and ST

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	50.843, 83.042, 109.167
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.089 - 1.660
Rwork	0.179
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo form of this protein
RMSD bond length	0.006
RMSD bond angle	1.438
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.090	46.110	1.690
High resolution limit [Å]	1.660	4.500	1.660
Rmerge	0.089	0.070	1.087
Number of reflections	55463	3020	2623
<I/σ(I)>	9	20.9
Completeness [%]	99.9	100	96.8
Redundancy	5.9	5.8	3.2
CC(1/2)	0.996	0.992	0.499

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 4000 and 0.1 M HEPES pH 6.5