3SVB

Engineered medium-affinity halide-binding protein derived from YFP: fluoride 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	50.914, 63.194, 69.229
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.673 - 1.300
R-factor	0.1374
Rwork	0.136
R-free	0.16380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.384
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge	0.040	0.023	0.409
Number of reflections	54466
<I/σ(I)>	15.5
Completeness [%]	97.8	98.1	76.2
Redundancy	6.6	6.8	3.5

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