5LKF

Bovine beta-lactoglobulin complex with myristic acid at high pressure (0.55 GPa)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	298
Detector technology	CCD
Collection date	2012-03-27
Detector	AGILENT ATLAS CCD
Wavelength(s)	0.7107
Spacegroup name	P 32 2 1
Unit cell lengths	52.757, 52.757, 110.446
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.360 - 2.500
R-factor	0.275
Rwork	0.256
R-free	0.39750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uev
RMSD bond length	0.011
RMSD bond angle	1.554
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	Outer shell
Low resolution limit [Å]	7.360	2.650
High resolution limit [Å]	2.500	2.500
Rmerge	0.480	0.617
Rmeas	0.086	0.630
Rpim	0.167	1.214
Total number of observations	135275	23687
Number of reflections	5846
<I/σ(I)>	7.6	0.8
Completeness [%]	91.0	93.3
Redundancy	23.1	24.8
CC(1/2)	0.966	0.381

Crystallization Conditions

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