4KNC

Structural and functional characterization of Pseudomonas aeruginosa AlgX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 21 21 2
Unit cell lengths	123.697, 82.435, 92.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.643 - 2.141
R-factor	0.1781
Rwork	0.176
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.038
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.141	4.630	2.141
Rmerge	0.081	0.055	0.640
Number of reflections	52346
<I/σ(I)>	10.8
Completeness [%]	99.9	98.8	100
Redundancy	9.7	9.3	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.9	293	25% PEG3000, 100 mM sodium citrate, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K