4IUK

Crystal structure of NreA of Staphylococcus carnosus with bound nitrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	85.660, 85.660, 91.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.830 - 2.350
R-factor	0.2168
Rwork	0.213
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.854
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.830	2.410
High resolution limit [Å]	2.350	2.350
Number of reflections	14713
Completeness [%]	99.9	99.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	12.5 % (w/v) PEG 1.000, 12.5 % (w/v) PEG 3350, 12.5 % (v/v) 2-methyl-2,4-pentanediol, 0.03 M sodium nitrate, 0.03 M disodium hydrogen phosphate, 0.03 M ammonium sulfate, 0.1 M bicine/Trizma base, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K