4Y13

SdiA in complex with octanoyl-rac-glycerol

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)	1.083
Spacegroup name	P 65 2 2
Unit cell lengths	129.857, 129.857, 125.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.155 - 3.096
R-factor	0.2005
Rwork	0.199
R-free	0.24000
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.669
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]	45.155
High resolution limit [Å]	3.095	3.095
Number of reflections	21605
<I/σ(I)>	1.33	2.3
Completeness [%]	99.9	100
Redundancy	28.4	29.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	5% (w/v) PEG 3350, 0.1M MES pH6.75, 0.1M ammonium sulfate