1GMY

Cathepsin B complexed with dipeptidyl nitrile inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1995-04-15
Detector	RIGAKU IMAGE PLATE
Spacegroup name	P 32 2 1
Unit cell lengths	103.900, 103.900, 125.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.000 - 1.900
Rwork	0.161
R-free	0.19800 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010 *
RMSD bond angle	23.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNX (2000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.056	0.305
Number of reflections	62967 *	10318 *
<I/σ(I)>	12.2	3.7
Completeness [%]	99.9	99.8
Redundancy	7.3	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5	4 *	pH 5.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	sodium acetate	50 (ml)	pH5.5
3	1	reservoir		100 (mM)
4	1	reservoir	PEG5000 MME	15-20 (%)