4R0T

Crystal structure of P. aeruginosa TpbA (C132S) in complex with pTyr

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	I 21 21 21
Unit cell lengths	78.835, 82.614, 120.816
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.517 - 2.603
R-factor	0.2215
Rwork	0.217
R-free	0.26490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.739
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Number of reflections	11739
Completeness [%]	94.7	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	15%(w/v) PEG10000, 0.1M citrate, 2%(v/v) dioxane, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K