6EJC

Human Xylosyltransferase 1 in complex with peptide QEEEGSGVGQGG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9282
Spacegroup name	P 21 21 21
Unit cell lengths	67.626, 86.898, 152.389
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.487 - 2.057
R-factor	0.2434
Rwork	0.242
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gak
RMSD bond length	0.002
RMSD bond angle	0.481
Data reduction software	xia2
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.500	75.500	2.110
High resolution limit [Å]	2.057	9.210	2.060
Rmerge	0.134	0.059	1.010
Rmeas	0.151	0.066	1.139
Rpim	0.067	0.028	0.513
Number of reflections	55573	688	4136
<I/σ(I)>	5.7
Completeness [%]	98.9	96.2	99.9
Redundancy	4.4	4.3	4.5
CC(1/2)	0.993	0.997	0.476

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	55-65% Morpheus Precipitant mix 2 (PEG8000 and Ethylene glycol) 0.1M Bicine/Tris buffer at pH 7.5 0.1M of NPS mix (0.033M of each)