4DNR

Crystal structure of the CusBA heavy-metal efflux complex from Escherichia coli, E716F mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9798
Spacegroup name	H 3 2
Unit cell lengths	159.594, 159.594, 689.652
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	97.665 - 3.680
R-factor	0.2457
Rwork	0.244
R-free	0.27190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.635
Data reduction software	DENZO
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	114.942	114.942	3.780
High resolution limit [Å]	3.680	16.460	3.680
Rmerge		0.068	0.625
Total number of observations		1609	10824
Number of reflections	37324
<I/σ(I)>	6.4	2.5	1.1
Completeness [%]	99.9	98.9	100
Redundancy	3.9	3.3	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	298	PEG3350, NH4SO4, JM600, pH 7, vapor diffusion, temperature 298K