1K4H

CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) COMPLEXED WITH 2,6-Diamino-8-propylsulfanylmethyl-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	2001-03-05
Detector	RIGAKU RAXIS IV
Spacegroup name	C 1 2 1
Unit cell lengths	90.710, 64.990, 71.070
Unit cell angles	90.00, 96.44, 90.00

Refinement procedure

Resolution	40.800 - 1.800
R-factor	0.196 *
Rwork	0.196
R-free	0.22900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1pud
RMSD bond length	0.005
RMSD bond angle	1.278
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	1.860
High resolution limit [Å]	1.800	1.800
Total number of observations	351534 *
Number of reflections	38143
<I/σ(I)>	16.26	3.96
Completeness [%]	99.6	99.6
Redundancy	9.22

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)