3ST0

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

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	51.026, 62.964, 69.078
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.534 - 1.190
R-factor	0.1419
Rwork	0.141
R-free	0.16600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2SVC
RMSD bond length	0.008
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]	46.534	50.000	1.210
High resolution limit [Å]	1.190	3.230	1.190
Rmerge	0.044	0.031	0.432
Number of reflections	66845
<I/σ(I)>	19.9
Completeness [%]	92.7	85.5	55.5
Redundancy	7.4	6.9	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	290	10% PEG3000, 150 mM ammonium acetate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 290K