5IO7

Bovine beta-lactoglobulin complex with dodecane at high pressure (0.43 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	2009-03-03
Detector	Nonius Kappa CCD
Wavelength(s)	0.71069
Spacegroup name	P 32 2 1
Unit cell lengths	53.073, 53.073, 111.722
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.370 - 2.850
R-factor	0.2543
Rwork	0.213
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lgb
RMSD bond length	0.007
RMSD bond angle	1.082
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.370	2.770
High resolution limit [Å]	2.850	2.650
Rmerge	0.231	0.672
Number of reflections	5671
<I/σ(I)>	1.55	2.63
Completeness [%]	91.0	72.4
Redundancy	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.34 M citric sodium