3EUG

CRYSTAL STRUCTURE OF ESCHERICHIA COLI URACIL DNA GLYCOSYLASE AND ITS COMPLEXES WITH URACIL AND GLYCEROL: STRUCTURE AND GLYCOSYLASE MECHANISM REVISITED

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	1997-08
Detector	BRUKER
Spacegroup name	P 21 21 21
Unit cell lengths	54.850, 58.930, 63.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.000 - 1.430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eug
RMSD bond length	0.009
RMSD bond angle	0.026
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	1.590
High resolution limit [Å]	1.430 *	1.500
Rmerge	0.073 *	0.290
Number of reflections	39441 *
<I/σ(I)>	8.8	1.4
Completeness [%]	90.0 *	91.1
Redundancy	4.9 *	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5	20 *	PROTEIN CONCENTRATION 14.9 MG/ML, 0.2 M SODIUM ACETATE, 30% PEG4000, 0.1 M TRIS BUFFER, PH 8.5 USING HANGING DROP AT 293K.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	14.9 (mg/ml)
2	1	reservoir	sodium acetate	0.2 (M)
3	1	reservoir	PEG4000	30 (%)
4	1	reservoir	Tris-HCl	0.1 (M)