6EJB

Human Xylosyltransferase 1 in complex with peptide QEEEGSAGGQGG

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	67.475, 86.694, 152.642
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.321 - 2.557
R-factor	0.2412
Rwork	0.239
R-free	0.27950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gam
RMSD bond length	0.002
RMSD bond angle	0.475
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]	76.420	76.420	2.630
High resolution limit [Å]	2.557	11.450	2.560
Rmerge	0.203	0.081	1.278
Rmeas	0.233	0.091	1.486
Rpim	0.112	0.041	0.742
Number of reflections	29622	407	2167
<I/σ(I)>	4.6
Completeness [%]	100.0	99.9	100
Redundancy	4.3	4	4.1
CC(1/2)	0.971	0.992	0.473

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)