4JR9

Crystal structure of nitrate/nitrite exchanger NarK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.999973
Spacegroup name	C 1 2 1
Unit cell lengths	138.266, 86.545, 144.789
Unit cell angles	90.00, 115.41, 90.00

Refinement procedure

Resolution	50.000 - 2.600
R-factor	0.23054
Rwork	0.229
R-free	0.26132
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 3TT1 1f8t 3tt3 1mrc
RMSD bond length	0.008
RMSD bond angle	1.312
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Number of reflections	47606
<I/σ(I)>	19.8	1.5
Completeness [%]	99.5	93.2
Redundancy	7.1	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	277	28% PEG400, 0.1 M citric acid pH 3.5, 0.1M NaCl, 0.1M Li2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 277K