1F6S

CRYSTAL STRUCTURE OF BOVINE ALPHA-LACTALBUMIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-04-30
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	72.045, 104.650, 117.415
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.990 - 2.200
R-factor	0.216
Rwork	0.216
R-free	0.25300
RMSD bond length	0.006
RMSD bond angle	22.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.081	0.517
Total number of observations	371734 *
Number of reflections	45363 *
<I/σ(I)>	11.5
Completeness [%]	99.2	99.2
Redundancy	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *		16 *	Polyethylene glycol, Potassium dihydrogen orthophosphate, VAPOR DIFFUSION, HANGING DROP, temperature 289K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	15 (%)
2	1	reservoir	potassium dihydrogen orthophosphate	0.05 (M)
3	1	drop	protein	20 (mg/ml)