1EU5

STRUCTURE OF E. COLI DUTPASE AT 1.45 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-03-28
Detector	MARRESEARCH
Spacegroup name	H 3
Unit cell lengths	85.821, 85.821, 60.476
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.000 - 1.450
R-factor	0.1401
Rwork	0.183
R-free	0.23220
RMSD bond length	0.012
RMSD bond angle	0.032
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	1.530
High resolution limit [Å]	1.450	1.450
Rmerge	0.043	0.150
Number of reflections	29458
<I/σ(I)>	9.1
Completeness [%]	99.9	99.9
Redundancy	3.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.2 *	277	SUCCINATE PH 5.5, BIS-TRIS, PH 6.2, PEG 8000, EVAPORATION, 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 (%)