2DC6

X-ray crystal structure analysis of bovine spleen cathepsin B-CA073 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2005-12-03
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	72.140, 72.140, 139.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	9.980 - 2.300
R-factor	0.201
Rwork	0.201
R-free	0.23200
Structure solution method	ISOMORPHOUS REPLACEMENT
Starting model (for MR)	1ito
RMSD bond length	0.006
RMSD bond angle	1.300
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.100	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.103
Number of reflections	16958
Completeness [%]	99.2	100
Redundancy	7.69

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	289	50mM sodium citrate, 2.4M sodium phosphate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K