5LKE

Bovine beta-lactoglobulin complex with myristic acid, ambient pressure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	298
Detector technology	CCD
Collection date	2012-03-01
Detector	AGILENT ATLAS CCD
Wavelength(s)	0.7107
Spacegroup name	P 32 2 1
Unit cell lengths	54.179, 54.179, 112.916
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.950 - 2.800
R-factor	0.1927
Rwork	0.179
R-free	0.31260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uev
RMSD bond length	0.014
RMSD bond angle	1.664
Data reduction software	CrysalisPro
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	13.950	13.950	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge	0.283	0.068	1.395
Number of reflections	4969
<I/σ(I)>	16.9
Completeness [%]	98.5	76.5	98.9
Redundancy	28.5	18.4	28.4
CC(1/2)	0.994	0.997	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.34 M CITRIC SODIUM, 0.1 Tris-HCL, PH 7.5,