4HCC

The zinc ion bound form of crystal structure of E.coli ExoI-ssDNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97930
Spacegroup name	P 21 21 21
Unit cell lengths	63.037, 108.692, 158.403
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.960
R-factor	0.188
Rwork	0.185
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hcb
RMSD bond length	0.006
RMSD bond angle	1.046
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.000
High resolution limit [Å]	2.950	7.960	2.950
Rmerge	0.091	0.044	0.436
Number of reflections	23141
<I/σ(I)>	12.9
Completeness [%]	99.3	96.8	99.6
Redundancy	6.9	5.6	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	The crystals grew in 1.65-1.68 M ammonium sulfate, 6.5-6.8% v/v 2-propanol, 0.1 M sodium citrate tribasic dihydrate pH 6.0, 5 mM phenol, then soaked in the solution consisted of precipitant solution and 20 mM zinc chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K