4OXS

Structure of NavMS in complex with channel blocking compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91963
Spacegroup name	C 2 2 21
Unit cell lengths	79.890, 329.020, 79.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.430 - 2.800
R-factor	0.2674
Rwork	0.266
R-free	0.28540
RMSD bond length	0.010
RMSD bond angle	1.080
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.200	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.148	0.615
Number of reflections	26545
<I/σ(I)>	10.6	3.3
Completeness [%]	100.0	100
Redundancy	8.6	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	0.1 M NA3CITRATE, 0.1 M TRIS, PH 8.0, 34% PEG400