6EHB

OmpU, an outer membrane protein, of Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	298
Detector technology	PIXEL
Collection date	2014-12-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	62.723, 153.840, 66.170
Unit cell angles	90.00, 102.32, 90.00

Refinement procedure

Resolution	49.490 - 1.550
R-factor	0.17172
Rwork	0.170
R-free	0.19929
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3upg
RMSD bond length	0.023
RMSD bond angle	2.149
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.490
High resolution limit [Å]	1.550	1.550
Rpim	0.037	0.555
Number of reflections	171689
<I/σ(I)>	9.8	1.4
Completeness [%]	97.0	95
Redundancy	3.9	4
CC(1/2)	0.900	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2 M sodium acetate, 0.1 M MES, 28% w/v 400 PEG