3SSP

Engineered low-affinity halide-binding protein derived from YFP: halide-free

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	51.254, 62.603, 69.792
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.658 - 1.628
R-factor	0.1473
Rwork	0.146
R-free	0.17420
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3sst
RMSD bond length	0.009
RMSD bond angle	1.392
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.311	50.000	1.660
High resolution limit [Å]	1.628	4.420	1.630
Rmerge	0.098	0.097	0.230
Number of reflections	27845
<I/σ(I)>	17.1
Completeness [%]	96.8	89.5	96.6
Redundancy	4.4	4.8	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	290	14% PEG4000, 50 mM sodium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K