3POX

Crystal Structure of E.coli OmpF porin in lipidic cubic phase: space group P1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-22
Detector	RAYONIX MX-300
Wavelength(s)	0.9796
Spacegroup name	P 1
Unit cell lengths	79.574, 86.017, 116.558
Unit cell angles	83.28, 78.46, 89.89

Refinement procedure

Resolution	19.998 - 2.000
R-factor	0.1895
Rwork	0.188
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2omf
RMSD bond length	0.018
RMSD bond angle	1.118
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.998	19.998	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.073	0.526
Rmeas		0.095	0.715
Rpim		0.060	0.482
Total number of observations		13067	60204
Number of reflections	196203
<I/σ(I)>	5.5	11.3	1.7
Completeness [%]	97.4	95.8	96.4
Redundancy	2.2	2.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	296	0.1M MES, 1.9M potassium thiocyanate, pH 6.5, lipidic sponge phase, temperature 296K