5JXQ

TRNA-GUANINE TRANSGLYCOSYLASE (TGT) IN COMPLEX WITH 6-AMINO-2-{[4-(2-HYDROXYETHYL)PHENETHYL]AMINO}-1,7-DIHYDRO-8H-IMIDAZO[4,5-g]QUINAZOLIN-8-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	2013-11-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97627
Spacegroup name	C 1 2 1
Unit cell lengths	90.220, 64.760, 70.340
Unit cell angles	90.00, 96.16, 90.00

Refinement procedure

Resolution	69.934 - 1.200
R-factor	0.1379
Rwork	0.137
R-free	0.15700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pud
RMSD bond length	0.005
RMSD bond angle	1.134
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	1.240
High resolution limit [Å]	1.200	1.200
Number of reflections	123477
<I/σ(I)>	19.8
Completeness [%]	98.3
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	100 MM MES, 10% DMSO, 13% PEG 8000, PH 5.5