1BSQ

STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF POINT MUTATIONS OF VARIANTS A AND B OF BOVINE BETA-LACTOGLOBULIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	RIGAKU
Spacegroup name	P 32 2 1
Unit cell lengths	54.231, 54.231, 113.019
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.220
R-factor	0.2393
Rwork	0.239
R-free	0.28620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	BOVINE BETA-LACTOGLOBULIN VARIANT A IN LATTICE Z AT PH 7.1
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.280
High resolution limit [Å]	2.220	2.220
Rmerge	0.086	0.350
Number of reflections	9182
<I/σ(I)>	10.22	2
Completeness [%]	91.2	71.8
Redundancy	2.69	1.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4 *		PROTEIN WAS CRYSTALLIZED FROM AMMONIUM SULFATE; PH 7.1

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25-30 (mg/ml)
2	1	drop	HEPES	0.010 (M)
3	1	reservoir	ammonium sulfate	2.2-2.8 (M)