6T42

Bovine lactoglobulin complex with decanol

This is a non-PDB format compatible entry.

Replaces:  5EEE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	Agilent SuperNova
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-15
Detector	AGILENT ATLAS CCD
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	53.145, 53.145, 111.410
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.286 - 1.950
R-factor	0.17921
Rwork	0.174
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bsy
RMSD bond length	0.010
RMSD bond angle	1.582
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]	13.290	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.032	0.330
Number of reflections	13734	1732
<I/σ(I)>	10.6	1.8
Completeness [%]	99.2
Redundancy	2.5
CC(1/2)	0.999	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.34 M sodium citrate in 0.1 M Tris-HCl pH 7.5, decanol