6H45

crystal structure of the human TGT catalytic subunit QTRT1 in complex with queuine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97626
Spacegroup name	C 1 2 1
Unit cell lengths	127.500, 158.860, 47.620
Unit cell angles	90.00, 108.19, 90.00

Refinement procedure

Resolution	48.160 - 2.400
R-factor	0.2032
Rwork	0.201
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.160	50.000	2.500
High resolution limit [Å]	2.400	48.160	2.400
Rmerge	0.049		0.476
Rmeas	0.058		0.590
Total number of observations	108869
Number of reflections	32713		2730
<I/σ(I)>	17.26		2.26
Completeness [%]	93.1		67.6
Redundancy	3.328		2.723
CC(1/2)	0.999		0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM Tris pH 7.8 200 mM KBr 200 mM KSCN 3 % (w/v) PGA-LM 5 % (w/v) PEG 4000