3SSV

Engineered low-affinity halide-binding protein derived from YFP: fluoride 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)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	51.444, 62.865, 70.086
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.798 - 1.861
R-factor	0.1717
Rwork	0.169
R-free	0.21300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3sst
RMSD bond length	0.016
RMSD bond angle	1.569
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall
Low resolution limit [Å]	46.798
High resolution limit [Å]	1.861
Number of reflections	19414

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	290	18% PEG2000, 50 mM sodium acetate, 90 mM magnesium chloride, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K