3O44

Crystal Structure of the Vibrio cholerae Cytolysin (HlyA) Heptameric Pore

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.25499, 1.25462, 1.03317
Spacegroup name	P 21 21 21
Unit cell lengths	172.354, 182.859, 430.395
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.956 - 2.880
R-factor	0.2192
Rwork	0.218
R-free	0.24860
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.053
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	3.000
High resolution limit [Å]	2.880	6.250	2.880
Rmerge	0.096	0.035	0.505
Number of reflections	299154
<I/σ(I)>	8.3
Completeness [%]	98.9	96.9	96.3
Redundancy	4.6	4.5	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	293	20 mM HEPES, 10% PEG 2000, 20 mM Cobalt(III) Hexammine Choride, 1 mM C10E8, pH 7.6, vapor diffusion, hanging drop, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.6	293	20 mM HEPES, 10% PEG 2000, 20 mM Cobalt(III) Hexammine Choride, 1 mM C10E8, pH 7.6, vapor diffusion, hanging drop, temperature 293K