3UPG

Loop deletion mutant of Salmonella typhi osmoporin (OmpC):an Outer Membrane Protein.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	77.03
Detector technology	CCD
Collection date	2009-06-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97869
Spacegroup name	P 63 2 2
Unit cell lengths	115.149, 115.149, 216.736
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 3.200
R-factor	0.28953
Rwork	0.288
R-free	0.32456
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2JN1
RMSD bond length	0.016
RMSD bond angle	1.701
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	108.370	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.144	0.455
Number of reflections	14582
<I/σ(I)>	15.21	2.25
Completeness [%]	99.1	97.2
Redundancy	11.5	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.1	298.15	20% Polyethylene glycol 3350, 0.2M Calcium chloride dihydrate, pH 5.1, Microbatch, temperature 298.15K