1PFO

PERFRINGOLYSIN O

Experimental procedure

Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	FILM
Collection date	1996-04
Spacegroup name	C 2 2 21
Unit cell lengths	46.987, 178.292, 174.207
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.211
Rwork	0.211
R-free	0.26800
Structure solution method	MULTIPLE ISOMORPHOUS REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	27.950 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.058	0.410
Number of reflections	37231
<I/σ(I)>	19.7	3.1
Completeness [%]	86.0	87.1
Redundancy	3.26

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.7 *	22 *	Feil, S.C., (1996) FEBS Lett., 397, 290. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.5 (mg/ml)
2	1	reservoir	PEG20000	6 (%(w/v))
3	1	reservoir	bicine	100 (mM)
4	1	reservoir	dioxane	2 (%(v/v))