3M6E

F80A mutant of the Urea Transporter from Desulfovibrio Vulgaris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	93
Detector technology	CCD
Collection date	2009-12-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.2135
Spacegroup name	P 63
Unit cell lengths	110.558, 110.558, 84.523
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.890 - 2.650
R-factor	0.195
Rwork	0.194
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k3f
RMSD bond length	0.017
RMSD bond angle	1.571
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.700
High resolution limit [Å]	2.650	7.190	2.650
Rmerge	0.113	0.066	0.953
Number of reflections	16528
<I/σ(I)>	12
Completeness [%]	96.4	86.6	98.4
Redundancy	5.8	6	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	26% PEG 1500, 100 mM Na Cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K