3AAV

Bovine beta-trypsin bound to meta-diamidino schiff base copper (II) chelate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Spacegroup name	P 31
Unit cell lengths	54.568, 54.568, 107.235
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.700
Rwork	0.183
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g3d
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.058	0.213
Number of reflections	39258
Completeness [%]	99.9
Redundancy	11.1	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP