4QTN

Crystal structure of the Vitamin B3 transporter PnuC

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9794, 0.9800, 0.972
Spacegroup name	P 21 21 21
Unit cell lengths	93.320, 112.930, 120.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.310 - 2.800
R-factor	0.24554
Rwork	0.244
R-free	0.27582
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.219
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	31933
Completeness [%]	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	15% PEG3350, 0.1 M Succinic Acid, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K