3ME1

Crystal Structure of the Desulfovibro vulgaris Urea Transporter in the P3(1) Space Group at 3.86

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	93
Detector technology	CCD
Collection date	2009-04-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 31
Unit cell lengths	103.197, 103.197, 141.498
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.813 - 3.862
R-factor	0.3239
Rwork	0.321
R-free	0.38660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.945
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.920
High resolution limit [Å]	3.850	10.420	3.850
Rmerge	0.067	0.032	0.582
Number of reflections	15450
<I/σ(I)>	10.9
Completeness [%]	97.7	90.9	81.4
Redundancy	10.7	10.9	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.25	293	22% PEG 1500, 100 mM Na Cacodylate, pH 6.25, VAPOR DIFFUSION, SITTING DROP, temperature 293K