3MST

Crystal structure of a Putative nitrate transport protein (TVN0104) from THERMOPLASMA VOLCANIUM at 1.35 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837
Spacegroup name	P 1 21 1
Unit cell lengths	35.042, 80.040, 42.522
Unit cell angles	90.00, 104.67, 90.00

Refinement procedure

Resolution	41.130 - 1.350
R-factor	0.121
Rwork	0.119
R-free	0.15500
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.661
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.130	41.130	1.400
High resolution limit [Å]	1.350	2.910	1.350
Rmerge	0.055	0.037	0.503
Number of reflections	49540	5044	4959
<I/σ(I)>	14.71	42.2	2.2
Completeness [%]	99.5	99.7	96.5
Redundancy	4.88

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.33	277	0.25M calcium chloride, 14.0% 2-propanol, 0.1M sodium acetate pH 4.33, temperature 277K, NANODROP, VAPOR DIFFUSION, SITTING DROP
2	VAPOR DIFFUSION, SITTING DROP	4.33	277	0.25M calcium chloride, 22.0% 2-propanol, 0.1M sodium acetate pH 4.33, temperature 277K, NANODROP, VAPOR DIFFUSION, SITTING DROP