8AD3

X-ray structure of NqrF(129-408)of Vibrio cholerae variant F406A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	73.540, 89.490, 89.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.980 - 1.550
R-factor	0.1756
Rwork	0.174
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u9u
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.980	47.980	1.650
High resolution limit [Å]	1.550	12.000	1.550
Rmerge	0.077	0.035	1.610
Rmeas	0.083	0.038	1.729
Total number of observations	661586
Number of reflections	86118	229	14385
<I/σ(I)>	12.87	42.36	1.3
Completeness [%]	99.7	98.7	98.8
Redundancy	7.682	6.437	7.535
CC(1/2)	0.999	0.998	0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	292	0.1 M citrate, 0.2 M MgAcetate, 22-27% PEG5000MME