5JSV

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

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	2015-10-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	C 1 2 1
Unit cell lengths	90.505, 65.200, 70.598
Unit cell angles	90.00, 96.44, 90.00

Refinement procedure

Resolution	39.948 - 1.170
R-factor	0.122
Rwork	0.121
R-free	0.13940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p0d
RMSD bond length	0.005
RMSD bond angle	0.861
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]	43.580	1.240
High resolution limit [Å]	1.170	1.170
Rmerge		0.273
Number of reflections	134123
<I/σ(I)>	19	4.3
Completeness [%]	97.4	91.2
Redundancy	4	3.3

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