3SSL

Engineered high-affinity halide-binding protein derived from YFP: iodide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.1000
Spacegroup name	P 21 21 21
Unit cell lengths	51.297, 62.741, 69.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.515 - 1.449
R-factor	0.1363
Rwork	0.134
R-free	0.17650
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.321
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.515	50.000	1.480
High resolution limit [Å]	1.449	3.940	1.450
Rmerge	0.055	0.040	0.497
Number of reflections	40595
<I/σ(I)>	16.6
Completeness [%]	99.8	99.5	99.2
Redundancy	6.9	6.6	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	290	17% PEG2000, 150 mM sodium acetate, 90 mM magnesium chloride, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K