3K8U

Crystal Structure of the Peptidase Domain of Streptococcus ComA, a Bi-functional ABC Transporter Involved in Quorum Sensing Pathway

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9789, 0.9000, 0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	58.610, 58.610, 112.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.440 - 1.900
R-factor	0.212
Rwork	0.212
R-free	0.23400
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.064	0.299
Number of reflections	16136
<I/σ(I)>	45	10.2
Completeness [%]	100.0	100
Redundancy	13.3	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	16% polyethylene glycol 3350, 0.16M di-ammonium hydrogen citrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	5	293	16% polyethylene glycol 3350, 0.16M di-ammonium hydrogen citrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K