3TU3

1.92 Angstrom resolution crystal structure of the full-length SpcU in complex with full-length ExoU from the type III secretion system of Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-31
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.06899
Spacegroup name	C 1 2 1
Unit cell lengths	154.140, 52.583, 119.539
Unit cell angles	90.00, 126.59, 90.00

Refinement procedure

Resolution	29.170 - 1.920
R-factor	0.19297
Rwork	0.191
R-free	0.22459
Structure solution method	MIR
RMSD bond length	0.009
RMSD bond angle	1.397
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELXD
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.067	0.520
Number of reflections	59644
<I/σ(I)>	16.87	2.65
Completeness [%]	99.8	100
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	The Classics H6 condition. ExoU - 87 uM; SpcU - 174 uM. , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	The Classics H6 condition. ExoU - 87 uM; SpcU - 174 uM. , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	The Classics H6 condition. ExoU - 87 uM; SpcU - 174 uM. , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K