1EUW

ATOMIC RESOLUTION STRUCTURE OF E. COLI DUTPASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-03-28
Detector	MARRESEARCH
Spacegroup name	H 3
Unit cell lengths	85.742, 85.742, 61.749
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.700 - 1.050
R-factor	0.1406
Rwork	0.141
R-free	0.16380
RMSD bond length	0.015
RMSD bond angle	0.037
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	1.110
High resolution limit [Å]	1.050	1.050
Rmerge	0.059	0.280
Number of reflections	79044
<I/σ(I)>	12.3
Completeness [%]	99.5	100
Redundancy	2.9	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.2 *	277	Thimerasol (Na ethyl Hg thiosalicylate), Bis-Tris, pH 6.2, PEG 8000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	succinate	5 (mM)
2	1	1	sodium ethylmercurythiosalicylate	100 (mM)
3	1	2	protein	3 (mg/ml)
4	1	2	Bis-Tris	10 (mM)
5	1	2	PEG8000	1.5 (%)