1PT3

Crystal structures of nuclease-ColE7 complexed with octamer DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	120
Detector technology	CCD
Collection date	2003-01-27
Detector	ADSC QUANTUM 4
Spacegroup name	P 1 21 1
Unit cell lengths	59.430, 46.470, 78.450
Unit cell angles	90.00, 90.39, 90.00

Refinement procedure

Resolution	50.000 * - 2.500
R-factor	0.216
Rwork	0.216
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cei
RMSD bond length	0.011
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.580
High resolution limit [Å]	2.500	2.490
Rmerge	0.040 *	0.236 *
Total number of observations	61443 *
Number of reflections	15076
<I/σ(I)>	36.4	7.8
Completeness [%]	96.7 *	83.2 *
Redundancy	4.07

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	298	2.5 mM EDTA, 12.5 mM Tris-HCl (pH 7.5), 0.1 M Ammonium Formate, and 10 % PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K, pH 7.50

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	EDTA
2	1	1	Tris-HCl
3	1	1	Ammonium Formate
4	1	1	PEG 3350
5	1	1	H2O
6	1	2	PEG 3350
7	1	2	Ammonium Formate
8	1	2	H2O

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	EDTA	2.5 (mM)
3	1	drop	Tris-HCl	12.5 (mM)	pH7.5
4	1	drop	ammonium formate	0.1 (M)
5	1	drop	PEG3350	10 (%)
6	1	reservoir	ammonium formate	0.2 (M)
7	1	reservoir	PEG3350	20 (%)