4F4C

The Crystal Structure of the Multi-Drug Transporter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	96.896, 155.360, 162.416
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.430 - 3.400
R-factor	0.25
Rwork	0.250
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2HYD and 3G5U
RMSD bond length	0.008
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.520
High resolution limit [Å]	3.400	3.400
Number of reflections	33973
Completeness [%]	98.7	95.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	20% PEG MME 2000, 100M sodium Hepes pH 6.5, 200mM malonate , VAPOR DIFFUSION, SITTING DROP, temperature 277K