7ERX

Glycosyltransferase in complex with UDP and STB

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	2020-10-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	54.482, 83.173, 109.391
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.297 - 1.920
Rwork	0.189
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ery
RMSD bond length	0.008
RMSD bond angle	1.477
Data reduction software	DIALS (0.7.4)
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]	109.390	109.390	1.970
High resolution limit [Å]	1.920	9.010	1.920
Rmerge	0.055	0.013	1.852
Rmeas	0.066	0.016	2.264
Rpim	0.036	0.008	1.282
Number of reflections	38620	452	2455
<I/σ(I)>	14.5
Completeness [%]	99.7
Redundancy	6.2	5.2	5.1
CC(1/2)	0.999	0.999	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM HEPES-NaOH buffer pH 6.5 and 20% PEG 4000