3SVC

Engineered medium-affinity halide-binding protein derived from YFP: chloride 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	51.615, 62.664, 65.951
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.840 - 1.310
R-factor	0.1356
Rwork	0.134
R-free	0.16430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sst
RMSD bond length	0.009
RMSD bond angle	1.307
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	1.330
High resolution limit [Å]	1.310	3.560	1.310
Rmerge	0.049	0.033	0.486
Number of reflections	51271
<I/σ(I)>	16
Completeness [%]	98.3	85.9	97.8
Redundancy	6.7	6.2	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	290	20% PEG2000, 50 mM sodium acetate, 90 mM magnesium chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K