4Y17

SdiA in complex with 3-oxo-C8-homoserine lactone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.987
Spacegroup name	P 21 21 2
Unit cell lengths	88.486, 92.430, 118.995
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.469 - 2.840
R-factor	0.2363
Rwork	0.234
R-free	0.27120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y13
RMSD bond length	0.004
RMSD bond angle	0.902
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.469
High resolution limit [Å]	2.840	2.840
Number of reflections	23551
<I/σ(I)>	22.4	2.1
Completeness [%]	99.5	99.7
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	18% (w/v) PEG 3350, 0.1M sodium acetate pH5.4, 0.3M ammonium sulfate