2IVH

Crystal structure of the nuclease domain of ColE7 (H545Q mutant) in complex with an 18-bp duplex DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	113
Detector technology	CCD
Collection date	2004-12-14
Detector	ADSC CCD
Spacegroup name	P 41 21 2
Unit cell lengths	106.800, 106.800, 60.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.760 - 2.800
R-factor	0.193
Rwork	0.193
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pt3
RMSD bond length	0.006
RMSD bond angle	1.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.080	0.360
Number of reflections	9047
<I/σ(I)>	31.7	6.05
Completeness [%]	99.6	99.9
Redundancy	10.74	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8		HANGING DROP VAPOR DIFFUSION METHOD BY MIXING 1 MICRO L COMPLEX SOLUTION AND 1 MICRO L RESERVOIR SOLUTION CONSISTING OF 40 % MPD, 0.4 M AMMONIUM FORMATE AND 0.1 M ACETATE BUFFER (PH4.8) AT ROOM TEMPERATURE., pH 4.80