2F1T

Outer membrane protein OmpW

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-29
Detector	ADSC QUANTUM 210
Wavelength(s)	1.10
Spacegroup name	P 31 2 1
Unit cell lengths	82.158, 82.158, 186.234
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 3.000
R-factor	0.276
Rwork	0.274
R-free	0.32900
Structure solution method	SIRAS
Starting model (for MR)	none
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.800	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.067	0.774
Number of reflections	14157
<I/σ(I)>	38.4	2.1
Completeness [%]	98.7	98
Redundancy	9	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	295	28-32% PEG400, 0.2 M CaCl2, 50 mM glycine, pH 9, VAPOR DIFFUSION, temperature 295K
1	VAPOR DIFFUSION	9	295	28-32% PEG400, 0.2 M CaCl2, 50 mM glycine, pH 9, VAPOR DIFFUSION, temperature 295K