4JFB

Crystal structure of OmpF in C2 with tNCS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Detector technology	CCD
Collection date	2012-07-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	161.910, 110.880, 226.140
Unit cell angles	90.00, 104.46, 90.00

Refinement procedure

Resolution	68.570 - 3.801
R-factor	0.2644
Rwork	0.262
R-free	0.31430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zfg
RMSD bond length	0.006
RMSD bond angle	1.097
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.570	3.940
High resolution limit [Å]	3.800	3.800
Number of reflections	32150
Completeness [%]	83.6	28.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	18-22% PEG 1500, 5-10% 2-Methyl-2,4-pentanediol, 0.1M Tris-HCl pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8	293	18-22% PEG 1500, 5-10% 2-Methyl-2,4-pentanediol, 0.1M Tris-HCl pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K