3AAU

Bovine beta-trypsin bound to meta-diguanidino 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 21 21 21
Unit cell lengths	54.183, 58.435, 66.498
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.760 - 1.800
Rwork	0.173
R-free	0.20200
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	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.096	0.303
Number of reflections	19852
Completeness [%]	98.3
Redundancy	10.4	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1