3SV5

Engineered medium-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	2009-12-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1169
Spacegroup name	P 21 21 21
Unit cell lengths	51.488, 63.025, 66.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.604 - 1.530
R-factor	0.1612
Rwork	0.160
R-free	0.18250
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.485
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]	50.000	50.000	1.560
High resolution limit [Å]	1.530	4.150	1.530
Rmerge	0.050	0.031	0.472
Number of reflections	32263
<I/σ(I)>	16.8
Completeness [%]	97.4	96.8	94.6
Redundancy	6.8	6.5	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	290	21% PEG2000, 50 mM sodium acetate, 90 mM magnesium chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K