3B07

Crystal structure of octameric pore form of gamma-hemolysin from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-17
Detector	RAYONIX MX225HE
Wavelength(s)	1.00000
Spacegroup name	C 2 2 21
Unit cell lengths	206.454, 206.141, 190.299
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.298 - 2.495
Rwork	0.207
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1LKF 2QK7 and 3ANZ
RMSD bond length	0.009
RMSD bond angle	1.125
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_617)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.298	44.000	2.650
High resolution limit [Å]	2.490	7.390	2.490
Rmerge	0.111	0.042	0.651
Rmeas		0.045	0.703
Number of reflections	138838	5624	21660
<I/σ(I)>	14.32	32.54	3.47
Completeness [%]	98.9	98.9	96.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	Sodium acetate, ammonium acetate, MPD, pH 4.6, vapor diffusion, sitting drop, temperature 293K