2FI9

The crystal structure of an outer membrane protein from the Bartonella henselae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9798
Spacegroup name	P 21 21 21
Unit cell lengths	34.527, 51.931, 62.368
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.900 - 1.800
R-factor	0.2009
Rwork	0.199
R-free	0.23420
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.325
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.066	0.505
Number of reflections	8970
<I/σ(I)>	21	1.3
Completeness [%]	86.5	35.6
Redundancy	4.6	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	287	2M (NH4)2SO4, 0.1M CAPS pH10.5, 0.2M Li2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 287K