4QS4

Crystal Structure of CofB from Enterotoxigenic Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00
Spacegroup name	H 3 2
Unit cell lengths	104.895, 104.895, 362.288
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.510 - 2.000
R-factor	0.2064
Rwork	0.205
R-free	0.22856
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SOLVE
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	120.700	120.700	2.080
High resolution limit [Å]	2.000	12.600	2.030
Rmerge		0.018	0.978
Number of reflections	52381
<I/σ(I)>	24.5	90	2.5
Completeness [%]	100.0	98.6	100
Redundancy	11.1	9.9	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	100 mM MES, 1.65 M Ammonium sulphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	100 mM MES, 1.65 M Ammonium sulphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	100 mM MES, 1.65 M Ammonium sulphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K