5BZ3

CRYSTAL STRUCTURE OF SODIUM PROTON ANTIPORTER NAPA IN OUTWARD-FACING CONFORMATION.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	56.580, 94.090, 147.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.000 - 2.300
R-factor	0.2065
Rwork	0.206
R-free	0.21850
RMSD bond length	0.005
RMSD bond angle	0.958
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (dev_1938)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.182	1.036
Number of reflections	17750
<I/σ(I)>	12.24	1.65
Completeness [%]	100.0	100
Redundancy	4.5	4.5
CC(1/2)	0.972	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.4	293	Lipid: MAG 7.7 (Lot: 141MG(7.7)-15, Avanti) protein (30mg/ml) weight ratio 1:1