3SRY

Engineered high-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)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	51.233, 62.506, 69.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.530 - 1.159
R-factor	0.1322
Rwork	0.131
R-free	0.15710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sst
RMSD bond length	0.018
RMSD bond angle	1.684
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]	46.530	50.000	1.180
High resolution limit [Å]	1.159	3.150	1.160
Rmerge	0.053	0.038	0.450
Number of reflections	73705
<I/σ(I)>	16.9
Completeness [%]	94.2	98.9	58
Redundancy	6.5	6.4	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	290	17% PEG3000, 150 mM sodium acetate, 90 mM magnesium chloride, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K