6INH

A glycosyltransferase with UDP and the substrate

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	97.553, 97.553, 90.774
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.840 - 2.100
R-factor	0.16859
Rwork	0.167
R-free	0.19778
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pq6
RMSD bond length	0.009
RMSD bond angle	1.440
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.460	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.127	0.290
Rmeas	0.158	0.361
Rpim	0.091	0.212
Number of reflections	29548	2159
<I/σ(I)>	7.2
Completeness [%]	100.0
Redundancy	5.3
CC(1/2)	0.973	0.916

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