5LPP

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	85.423, 64.443, 71.223
Unit cell angles	90.00, 93.88, 90.00

Refinement procedure

Resolution	42.610 - 1.990
R-factor	0.1825
Rwork	0.181
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p0d
RMSD bond length	0.007
RMSD bond angle	0.799
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]	42.610	2.110
High resolution limit [Å]	1.990	1.990
Rmerge		0.488
Number of reflections	26417
<I/σ(I)>	15.8	2.8
Completeness [%]	99.4	99.3
Redundancy	3.7	3.6

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