8AD5

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
Spacegroup name	P 21 21 21
Unit cell lengths	72.880, 90.470, 94.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.650 - 1.650
R-factor	0.1826
Rwork	0.181
R-free	0.21420
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]	48.650	48.650	1.750
High resolution limit [Å]	1.650	10.000	1.650
Rmerge	0.153	0.037	2.540
Rmeas	0.161	0.039	2.664
Total number of observations	782172
Number of reflections	74065	396	11550
<I/σ(I)>	12.87	51.03	1.26
Completeness [%]	97.7	98.3	95.2
Redundancy	10.561	9.606	10.819
CC(1/2)	0.999	0.999	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	292	0.1 M citrate, 0.2 M MgAcetate, 20-27 % PEG5000 MME