6FOA

Human Xylosyltransferase 1 apo structure

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	2016-12-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 21 21 21
Unit cell lengths	67.283, 86.777, 153.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.629 - 1.869
R-factor	0.1966
Rwork	0.195
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gak
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.810	86.810	1.920
High resolution limit [Å]	1.869	8.360	1.870
Rmerge	0.119	0.042	1.891
Rmeas	0.129	0.045	2.065
Rpim	0.048	0.017	0.822
Number of reflections	74977	969	5466
<I/σ(I)>	9.5
Completeness [%]	100.0	99.9	100
Redundancy	7.1	6.5	6.1
CC(1/2)	0.998	0.998	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	55-65% precipitant mix 2 (PEG8000 and ethylene glycol), 100 mM Bicine/Tris buffer at pH 7.5 100 mM of a sodium nitrate/sodium phosphate/ammonium sulphate mix.