1BGO

CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PEPTIDOMIMETIC INHIBITOR

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	287
Detector technology	AREA DETECTOR
Collection date	1997-09
Detector	XENTRONICS
Spacegroup name	P 43
Unit cell lengths	71.550, 71.550, 55.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.300
R-factor	0.24
Rwork	0.240
R-free	0.29600
Structure solution method	MR
Starting model (for MR)	1atk
RMSD bond length	0.017
RMSD bond angle	25.200 *
Data reduction software	CCP4
Data scaling software	CCP4
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.089	0.270
Number of reflections	11258
<I/σ(I)>	12.4	1.8
Completeness [%]	89.0	54
Redundancy	3.6	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.5	20 *	pH 4.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	18 (%)
2	1	reservoir	sodium acetate	0.06 (M)
3	1	reservoir		0.12 (M)