4JMF

Crystal structure of ExoT (residues 28 -77)- SpcS complex from Pseudomonas aeruginosa at 2.1 angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-08-05
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	78.322, 78.322, 194.221
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.482 - 2.099
R-factor	0.202
Rwork	0.198
R-free	0.24310
Structure solution method	MIR
RMSD bond length	0.007
RMSD bond angle	1.172
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	50.000	2.260
High resolution limit [Å]	2.099	3.590	2.090
Number of reflections	21244
Completeness [%]	99.0	99	95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	295	28% PEGMME 5000, 0.2M ammonium sulphate, pH 6.5, vapour diffusion, temperature 295K, VAPOR DIFFUSION