3R2H

1.7 A resolution structure of As-Isolated FtnA from Pseudomonas aeruginosa (pH 10.5)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-01
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	F 4 3 2
Unit cell lengths	173.120, 173.120, 173.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.853 - 1.700
R-factor	0.1541
Rwork	0.153
R-free	0.17640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3is7
RMSD bond length	0.016
RMSD bond angle	1.373
Data reduction software	XDS
Data scaling software	SCALA (CCP4_3.3.16)
Phasing software	MOLREP
Refinement software	PHENIX (dev_605)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.260	29.260	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.150	0.050	0.870
Total number of observations		32599	128991
Number of reflections	24998
<I/σ(I)>	27.6232	75.2	5.2
Completeness [%]	100.0	99.48	100
Redundancy	41.07	35.17	36.56

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	10.5	293	20% PEG-8000, 100 mM CAPS, 200 mM NaCl, pH 10.5, vapor diffusion, temperature 293K