2F1M

Conformational flexibility in the multidrug efflux system protein AcrA

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-22
Detector	ADSC QUANTUM 210
Spacegroup name	C 2 2 21
Unit cell lengths	88.788, 100.031, 332.586
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.710
R-factor	0.239
Rwork	0.237
R-free	0.27500
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.608
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.090	0.429
Number of reflections	39324
<I/σ(I)>	14.6	2.3
Completeness [%]	97.3	91.1
Redundancy	5	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.4	277	30% 2-methyl-2,4-pentadiol (MPD), 20 mM MgCl2, 100 mM citrate pH 5.4, 1 mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.40
1		5.4	277	30% 2-methyl-2,4-pentadiol (MPD), 20 mM MgCl2, 100 mM citrate pH 5.4, 1 mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.40
1		5.4	277	30% 2-methyl-2,4-pentadiol (MPD), 20 mM MgCl2, 100 mM citrate pH 5.4, 1 mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.40