2HO1

Functional Characterization of Pseudomonas Aeruginosa pilF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-17
Detector	ADSC QUANTUM 210
Wavelength(s)	0.980301, 0.95
Spacegroup name	P 21 21 2
Unit cell lengths	137.099, 69.047, 70.126
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.300 - 2.000
R-factor	0.242
Rwork	0.209
R-free	0.24800
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.363
Data reduction software	d*TREK
Data scaling software	d*TREK (9.5L)
Phasing software	SnB
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.300	28.260	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.061	0.034	0.597
Total number of observations		32519	30473
Number of reflections	45900
<I/σ(I)>	10.7	28.8	2
Completeness [%]	99.8	99.7	100
Redundancy	7.04	6.68	6.64

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	289	0.095 mM Sodium-citrate pH 5.6, 19% isopropanol (v/v), 19% PEG 4K (w/v), 5% glycerol (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 289K
1	VAPOR DIFFUSION, HANGING DROP	5.6	289	0.095 mM Sodium-citrate pH 5.6, 19% isopropanol (v/v), 19% PEG 4K (w/v), 5% glycerol (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 289K