1QDQ

X-RAY CRYSTAL STRUCTURE OF BOVINE CATHEPSIN B-CA074 COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 43 21 2
Unit cell lengths	73.060, 73.060, 141.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.180
Rwork	0.152
R-free	0.18500 *
RMSD bond length	0.098
RMSD bond angle	25.700 *
Phasing software	PHASES
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.310
High resolution limit [Å]	2.180	2.180
Rmerge	0.067
Number of reflections	32132
Completeness [%]	82.1	76.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	293	sodium phosphate, sodium citrate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 20K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	sodium citrate	50 (mM)
3	1	reservoir	sodium phosphate	2 (M)