3UIF

CRYSTAL STRUCTURE OF putative sulfonate ABC transporter, periplasmic sulfonate-binding protein SsuA from Methylobacillus flagellatus KT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	101.097, 101.097, 66.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.780 - 2.600
R-factor	0.1989
Rwork	0.195
R-free	0.27830
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.302
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell
Low resolution limit [Å]	50.000	50.000
High resolution limit [Å]	2.500	6.780
Rmerge	0.110	0.048
Number of reflections	22865
<I/σ(I)>	7.7
Completeness [%]	100.0	99.8
Redundancy	7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.2 M Li-sulfate, 0.1 M Bis-Tris, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K