4Y0P

Bovine beta-lactoglobulin complex with tetracaine (BLG-TET)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	120
Detector technology	CCD
Collection date	2012-03-21
Detector	AGILENT ATLAS CCD
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	53.347, 53.347, 111.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.220 - 2.200
R-factor	0.20687
Rwork	0.200
R-free	0.26452
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bsy
RMSD bond length	0.010
RMSD bond angle	1.551
Data reduction software	CrysalisPro
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.220	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.053	0.126
Number of reflections	9669
<I/σ(I)>	9.8	3.7
Completeness [%]	99.5	100
Redundancy	2.6	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	protein 20 mg/ml, 1.34 M sodium citrate in 0.1 M Tris-HCl pH 7.5 and 5 mM tetracaine