5LPS

tRNA guanine Transglycosylase (TGT) in co-crystallized complex (space group C2) with 6-amino-2-(methylamino)-4-(2-((2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxytetrahydro-2H-pyran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97917
Spacegroup name	C 1 2 1
Unit cell lengths	84.951, 64.573, 71.001
Unit cell angles	90.00, 93.62, 90.00

Refinement procedure

Resolution	42.370 - 1.270
R-factor	0.151
Rwork	0.150
R-free	0.16830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p0d
RMSD bond length	0.005
RMSD bond angle	0.811
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: 1492))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.390	1.350
High resolution limit [Å]	1.270	1.270
Rmerge		0.477
Number of reflections	97768
<I/σ(I)>	17.2	2.8
Completeness [%]	96.7	93.4
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	288	13% PEG 8000, 100mM MES, 1mM DTT, 10% DMSO