9BON

Crystal structure of glucosyltransferase (GTD) domain of TpeL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	75.093, 64.730, 121.181
Unit cell angles	90.00, 102.03, 90.00

Refinement procedure

Resolution	73.445 - 2.222
R-factor	0.1951
Rwork	0.193
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.008
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549: ???)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	118.520	10.310
High resolution limit [Å]	2.220	2.220
Rmerge	0.080
Rmeas	0.090
Rpim	0.042
Number of reflections	56042	2780
<I/σ(I)>	11.2	2.1
Completeness [%]	99.4	99.4
Redundancy	4.6
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2M potassium sodium tartrate and 20% (w/v) PEG 3350