4DOP

Crystal structure of the CusBA heavy-metal efflux complex from Escherichia coli, R 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	160.517, 160.517, 681.326
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	97.311 - 4.200
R-factor	0.2241
Rwork	0.222
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.617
Data reduction software	HKL-2000
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]	136.206	136.206	4.310
High resolution limit [Å]	4.200	18.780	4.200
Rmerge		0.077	0.868
Total number of observations		1927	13279
Number of reflections	25305
<I/σ(I)>	6.6	2.7	0.9
Completeness [%]	100.0	99.2	100
Redundancy	6.9	5.8	7.2

Crystallization Conditions

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