1YT7

Cathepsin K complexed with a constrained ketoamide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2001-01-25
Detector	RIGAKU RAXIS II
Wavelength(s)	1.54
Spacegroup name	P 32
Unit cell lengths	65.645, 65.645, 34.467
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.000 - 2.300
Rwork	0.183
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q6k
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.240	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.045	0.100
Number of reflections	7078
<I/σ(I)>	18.7	8.8
Completeness [%]	96.0	91.1
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2M AMMONIUM SULFATE, 30% PEG8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K