6BSU

Crystal structure of xyloglucan xylosyltransferase I

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]	123
Detector technology	PIXEL
Collection date	2017-08-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	94.304, 135.683, 113.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.528 - 1.497
R-factor	0.1422
Rwork	0.142
R-free	0.16730
RMSD bond length	0.006
RMSD bond angle	0.811
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.530	1.551
High resolution limit [Å]	1.497	1.497
Rmerge	0.080	0.924
Rmeas	0.085
Rpim	0.028	0.525
Number of reflections	112693	9911
<I/σ(I)>	14.31	1.03
Completeness [%]	96.4	83.82
Redundancy	7.8	3.7
CC(1/2)	0.998	0.381

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	Tris pH 8, Na-Nitrate, PEG3350