4ZP2

Crystal structure of E. coli multidrug transporter MdfA in complex with n-dodecyl-N,N-dimethylamine-N-oxide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	94.086, 64.085, 101.253
Unit cell angles	90.00, 104.19, 90.00

Refinement procedure

Resolution	38.438 - 2.200
R-factor	0.2076
Rwork	0.206
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.044
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX (phenix.refine: 1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.128	0.058
Total number of observations	255213
Number of reflections	29691
<I/σ(I)>	6.6
Completeness [%]	100.0	99.9	100
Redundancy	8.6	8.3	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	PEG400