6ING

A complex structure of H25A mutant of glycosyltransferase with UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 31 2 1
Unit cell lengths	98.946, 98.946, 88.967
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.689 - 1.698
R-factor	0.1768
Rwork	0.175
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pq6
RMSD bond length	0.009
RMSD bond angle	0.857
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.689	1.740
High resolution limit [Å]	1.698	1.700
Rmerge	0.086	3.288
Rmeas	0.096	3.700
Rpim	0.043	1.678
Number of reflections	55785	4095
<I/σ(I)>	9.6
Completeness [%]	100.0
Redundancy	9.6
CC(1/2)	0.988	0.451

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M sodium citrate buffer at pH 5.4 and 20% PEG 4000