3CZC

The Crystal Structure of a putative PTS IIB(PtxB) from Streptococcus mutans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-25
Detector	MAR CCD 165 mm
Wavelength(s)	0.981
Spacegroup name	P 21 21 21
Unit cell lengths	36.000, 41.400, 54.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.370 - 2.020
R-factor	0.1774
Rwork	0.175
R-free	0.23734
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	1.594
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.400	2.300
High resolution limit [Å]	2.000	2.000
Rmerge	0.025	0.040
Number of reflections	5665	3265
<I/σ(I)>	58.33	42.2
Completeness [%]	96.0	89
Redundancy	7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	289	0.1M MES, 1.5-1.8M (NH4)2SO4, pH 6.5, Vapor diffusion, temperature 289K