1FIW

THREE-DIMENSIONAL STRUCTURE OF BETA-ACROSIN FROM RAM SPERMATOZOA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-10-01
Detector	MARRESEARCH
Spacegroup name	P 65 2 2
Unit cell lengths	105.288, 105.288, 120.835
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.1996
Rwork	0.197
R-free	0.24200
RMSD bond length	0.022
RMSD bond angle	2.242
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.068	0.298
Number of reflections	20601
<I/σ(I)>	15.3
Completeness [%]	93.7	92.9
Redundancy	4.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.2 *	291	sodium acetate, sodium formate, p-aminobenzamidine, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 18K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	L-BAPNA	0.375 (mM)
2	1	drop	Tris-HCl	0.1 (M)
3	1	drop		50 (mM)
4	1	drop	protein		12mg
5	1	reservoir	sodium acetate	0.1 (M)
6	1	reservoir	sodium formate	2 (M)