6H2F

Structure of the pre-pore AhlB of the tripartite alpha-pore forming toxin, AHL, from Aeromonas hydrophila.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	C 2 2 21
Unit cell lengths	117.661, 178.184, 485.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.550 - 2.550
R-factor	0.19497
Rwork	0.191
R-free	0.27844
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SeMet AhlB
RMSD bond length	0.011
RMSD bond angle	1.568
Data reduction software	xia2
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.550	2.730
High resolution limit [Å]	2.550	2.550
Rmerge	0.188
Rmeas		0.751
Rpim	0.122
Number of reflections	165574	29762
<I/σ(I)>	6.6	2.7
Completeness [%]	100.0	100
Redundancy	6.4	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	290	0.2 M ammonium phosphate 0.1 M Tris pH 8.5 50 % (v/v) MPD