4RJX

Crystal structure of the OprO mutant protein F62Y/D114Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92
Spacegroup name	H 3
Unit cell lengths	87.479, 87.479, 159.040
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.300 - 1.540
R-factor	0.1555
Rwork	0.154
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.300	1.580
High resolution limit [Å]	1.540	1.540
Number of reflections	67047
Completeness [%]	99.6	96.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	50 mM sodium acetate, 0.225 M ammonium sulphate, 12% PEG4000, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K