4WIS

Crystal structure of the lipid scramblase nhTMEM16 in crystal form 1

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	2013-06-13
Detector	PSI PILATUS 6M
Wavelength(s)	0.9797
Spacegroup name	P 21 21 21
Unit cell lengths	96.480, 113.690, 235.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.984 - 3.300
R-factor	0.2399
Rwork	0.237
R-free	0.28470
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.736
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	PHENIX ((phenix.refine: dev_1760))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.400
High resolution limit [Å]	3.300	3.300
Rmerge		1.235
Number of reflections	39477
<I/σ(I)>	20.1	2.6
Completeness [%]	88.1	98.8
Redundancy	12.7	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	21-23% PEG 400, 100 mM Capso pH 9.4, 100 mM MgCl2, 100 mM NaCl