3SVE

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

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)	0.91993
Spacegroup name	P 21 21 21
Unit cell lengths	51.296, 62.212, 69.549
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.775 - 1.492
R-factor	0.1543
Rwork	0.153
R-free	0.17870
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3sst
RMSD bond length	0.019
RMSD bond angle	1.820
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]	41.282	50.000	1.530
High resolution limit [Å]	1.492	4.070	1.500
Rmerge	0.077	0.061	0.468
Number of reflections	36416
<I/σ(I)>	13.8
Completeness [%]	98.8	99.8	90.3
Redundancy	6.9	6.3	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	290	18% PEG2000, 50 mM sodium acetate, 90 mM magnesium chloride, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K