4F0W

Crystal structure of type effector Tse1 C30A mutant from Pseudomonas aeruginousa

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	2012-04-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9790
Spacegroup name	P 21 21 21
Unit cell lengths	38.432, 62.305, 73.551
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.887 - 1.240
R-factor	0.1833
Rwork	0.183
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	native paTse1 structure
RMSD bond length	0.007
RMSD bond angle	1.108
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.260
High resolution limit [Å]	1.240	1.240
Rmerge	0.086	0.522
Number of reflections	48208
<I/σ(I)>	27.8	2.47
Completeness [%]	100.0	92.7
Redundancy	3.4	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2M Sodium malonate pH 7.0, 20% (w/v) PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K