1F6R

CRYSTAL STRUCTURE OF APO-BOVINE ALPHA-LACTALBUMIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-05-26
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	119.568, 119.568, 152.745
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.200
R-factor	0.191
Rwork	0.191
R-free	0.24800
RMSD bond length	0.011
RMSD bond angle	25.900 *
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]	40.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.086	0.633
Total number of observations	561254 *
Number of reflections	57273 *
<I/σ(I)>	8.8
Completeness [%]	99.3	99.5
Redundancy	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6	16 *	Ammonium sulfate, Tris/HCl buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K

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	2.0 (M)
3	1	reservoir	Tris-HCl	0.1 (M)