4GNY

Bovine beta-lactoglobulin complex with dodecyl sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2011-07-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	53.977, 53.977, 112.861
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.745 - 1.637
R-factor	0.2004
Rwork	0.199
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ueu
RMSD bond length	0.008
RMSD bond angle	1.188
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1131))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.745	1.695
High resolution limit [Å]	1.637	1.637
Rmerge	0.044	0.398
Number of reflections	23914
<I/σ(I)>	15.6	2.9
Completeness [%]	99.5	97.6
Redundancy	5.4	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	291	1.34 M trisodium citrate in 0.05 M Tris-HCl buffer, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K