5BZ2

CRYSTAL STRUCTURE OF THE SODIUM PROTON ANTIPORTER NAPA IN INWARD-FACING CONFORMATION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.968610
Spacegroup name	C 2 2 21
Unit cell lengths	77.710, 84.640, 201.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.640 - 3.700
R-factor	0.2937
Rwork	0.290
R-free	0.32850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bwz
RMSD bond length	0.005
RMSD bond angle	0.836
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2006: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.640	3.832
High resolution limit [Å]	3.700	3.700
Rmerge	0.090	2.788
Number of reflections	7404
<I/σ(I)>	13.26	1.13
Completeness [%]	100.0	100
Redundancy	12.7	13.3
CC(1/2)	0.999	0.575

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	0.05M glycine pH 9.5, 0.1M NaCl, 34-38% PEG 300