1B8E

HIGH RESOLUTION CRYSTAL STRUCTURE OF THE BOVINE BETA-LACTOGLOBULIN (ISOFORMS A AND B) IN ORTHOROMBIC SPACE GROUP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	1997-09
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	55.640, 81.650, 66.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	9.500 - 1.950
Rwork	0.189
R-free	0.25600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	B-LG LATTICE Y FROM MIXTURE OF GENETIC VARIANTS A AND B
RMSD bond length	0.009 *
RMSD bond angle	2.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000 *	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.085 *	0.440 *
Number of reflections	9834
<I/σ(I)>	9.2
Completeness [%]	86.4	88.8
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9		METHOD IN PRESENCE OF AMMONIUM SULPHATE 2.5 M, 180MM TRIZMA BUFFER AT A PROTEIN CONCENTRATION OF 20MG/ML, pH 7.9, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	ammonium sulfate	2.5 (M)
3	1	reservoir	Tris-HCl	180 (mM)