4P24

pore forming toxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-09
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98
Spacegroup name	P 41 21 2
Unit cell lengths	170.060, 170.060, 202.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.600 - 3.100
R-factor	0.2202
Rwork	0.219
R-free	0.24390
RMSD bond length	0.004
RMSD bond angle	0.843
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.600	3.211
High resolution limit [Å]	3.100	3.100
Rmerge	0.205	0.991
Number of reflections	54499
<I/σ(I)>	10.81	2.13
Completeness [%]	100.0	99.98
Redundancy	8.2	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	40% MPD, 0.1M citric acid pH4.0