1CTE

CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN

Experimental procedure

Collection date	1989-09
Spacegroup name	P 1 21 1
Unit cell lengths	47.070, 90.190, 62.210
Unit cell angles	90.00, 97.43, 90.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.166
Rwork	0.166
RMSD bond length	0.015
RMSD bond angle	1.460 *
Data reduction software	SDMS
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	2.100 *
Rmerge	0.075
Number of reflections	28689
Completeness [%]	92.6
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	phosphate	50 (mM)
2	1	drop	Brij-35	0.001 (%)
3	1	drop		0.05 (%)
4	1	drop	protein	7.7 (mg/ml)
5	1	reservoir	PEG8000	10 (%)
6	1	reservoir	ammonium sulfate	0.2 (M)
7	1	reservoir	sodium citrate	0.1 (M)