1K4G

CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) COMPLEXED WITH 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-01-28
Detector	RIGAKU RAXIS IV
Spacegroup name	C 1 2 1
Unit cell lengths	89.767, 64.749, 71.130
Unit cell angles	90.00, 95.92, 90.00

Refinement procedure

Resolution	40.800 - 1.700
R-factor	0.199 *
Rwork	0.199
R-free	0.24100
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1pud
RMSD bond length	0.006
RMSD bond angle	1.367 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.760
High resolution limit [Å]	1.700	1.700
Total number of observations	406718 *
Number of reflections	44700
<I/σ(I)>	14.49	3.85
Completeness [%]	99.5	99.2
Redundancy	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	25 *	Romier, C., (1996) Proteins: Struct.,Funct., Genet., 24, 516. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	100 (mM)
2	1	reservoir	PEG8000	13 (%)
3	1	reservoir	dithiothreitol	1 (mM)
4	1	reservoir	agarose	0.2 (%)
5	1	drop	HEPES	10 (mM)	pH7.5
6	1	drop		2 (M)
7	1	drop	dithiothreitol	1 (mM)
8	1	drop	protein	12 (mg/ml)