4ZUY

Structure of Tsi6 from Pseudomonas aeruginosa

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	2014-04-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	54.511, 100.956, 93.098
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.966 - 1.952
R-factor	0.196
Rwork	0.192
R-free	0.23560
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.933
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXDE
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.980	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.097	0.687
Number of reflections	19003
<I/σ(I)>	26
Completeness [%]	99.8
Redundancy	15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M imidazole:HCl pH 8.0, 2.5 M NaCl