3SSY

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1109
Spacegroup name	P 21 21 21
Unit cell lengths	51.635, 61.821, 69.603
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.222 - 1.769
R-factor	0.158
Rwork	0.156
R-free	0.19390
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3sst
RMSD bond length	0.010
RMSD bond angle	1.292
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]	46.222	50.000	1.800
High resolution limit [Å]	1.769	4.800	1.770
Rmerge	0.057	0.027	0.467
Number of reflections	22178
<I/σ(I)>	14
Completeness [%]	99.1	99.9	98.2
Redundancy	7	6.7	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	290	22% PEG2000, 50 mM sodium acetate, 90 mM magnesium chloride, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K