4HCB

The metal-free 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	2011-06-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0720
Spacegroup name	P 21 21 21
Unit cell lengths	62.544, 107.289, 157.574
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.663 - 2.000
R-factor	0.1849
Rwork	0.183
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c95
RMSD bond length	0.008
RMSD bond angle	1.002
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.083	0.052	0.297
Number of reflections	71457
<I/σ(I)>	14.2
Completeness [%]	99.1	95.7	99.7
Redundancy	8.3	7.8	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	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 and 5 mM phenol, VAPOR DIFFUSION, SITTING DROP, temperature 293K