8AD4

X-ray structure of NqrF(129-408)of Vibrio cholerae in complex with NADH

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	2009-06-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	72.200, 89.380, 95.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.380 - 1.500
R-factor	0.1802
Rwork	0.179
R-free	0.20490
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]	48.380	48.380	1.600
High resolution limit [Å]	1.500	12.000	1.500
Rmerge	0.063	0.032	0.939
Rmeas	0.071	0.036	1.163
Total number of observations	390283
Number of reflections	93788	227	13219
<I/σ(I)>	15.05	41.13	1.14
Completeness [%]	94.6	95.8	76.6
Redundancy	4.161	4.132	2.34
CC(1/2)	0.999	0.998	0.455

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	292	0.1 M Citrate, 0.2 M MgAcetate, 35% PEG5000 MME