3R2M

1.8A resolution structure of Doubly Soaked FtnA from Pseudomonas aeruginosa (pH 7.5)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.7401
Spacegroup name	F 4 3 2
Unit cell lengths	173.267, 173.267, 173.267
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.242 - 1.800
R-factor	0.1762
Rwork	0.175
R-free	0.20290
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3r2h
RMSD bond length	0.014
RMSD bond angle	1.294
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	PHENIX (dev_661)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.040	100.040	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.102	0.050	0.880
Total number of observations		25466	48781
Number of reflections	21231
<I/σ(I)>	23.3291
Completeness [%]	100.0	99.98	99.99
Redundancy	32.39	31.71	16.25

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	20% (v/v) 1,4-butanediol, 100 mM HEPES, 200 mM NaCl, pH 7.5, VAPOR DIFFUSION, temperature 293K