1E54

Anion-selective porin from Comamonas acidovorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	277
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Spacegroup name	H 3
Unit cell lengths	107.250, 107.250, 140.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.2
Rwork	0.200
R-free	0.23500
Structure solution method	SIRAS
RMSD bond length	0.006
RMSD bond angle	27.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.112 *	0.459 *
Number of reflections	29830
<I/σ(I)>		2
Completeness [%]	84.9	91.6 *
Redundancy	2.2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	290 *	Zeth, K., (1998) Acta Crystallogr., D54, 650. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	beta-D-octylglucoside	2 (%)
2	1	reservoir	Tris	20 (mM)
3	1	drop	protein	10 (mg/ml)
4	1	drop		1.3-1.4 (M)
5	1	drop	HEPES	100 (mM)