6T44

Ovine lactoglobulin complex with decanol

This is a non-PDB format compatible entry.

Replaces:  5EED

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	Agilent SuperNova
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-29
Detector	AGILENT ATLAS CCD
Wavelength(s)	1.54
Spacegroup name	P 62
Unit cell lengths	108.340, 108.340, 55.856
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.080 - 2.000
R-factor	0.19855
Rwork	0.196
R-free	0.24840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nli
RMSD bond length	0.011
RMSD bond angle	1.686
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.080	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.058	0.436
Number of reflections	25315	1832
<I/σ(I)>	12.8	1.3
Completeness [%]	99.6	99.7
Redundancy	2.7
CC(1/2)	0.997	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.30 M sodium citrate in 0.2 M Tris pH 8.5, decanol