4DNT

Crystal structure of the CusBA heavy-metal efflux complex from Escherichia coli, 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	159.636, 159.636, 681.098
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	107.327 - 3.100
R-factor	0.2203
Rwork	0.219
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.675
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]	113.516	113.516	3.180
High resolution limit [Å]	3.100	13.860	3.100
Rmerge		0.042	0.872
Total number of observations		3640	24724
Number of reflections	61292
<I/σ(I)>	10.3	8.4	0.8
Completeness [%]	100.0	99.7	100
Redundancy	5.3	4.6	5.5

Crystallization Conditions

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