2ATO

Crystal structure of Human Cathepsin K in complex with myocrisin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210
Wavelength(s)	1.115872
Spacegroup name	P 21 21 21
Unit cell lengths	32.063, 67.398, 93.785
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.490 - 2.000
R-factor	0.197
Rwork	0.197
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB code; 1ATK
RMSD bond length	0.005
RMSD bond angle	1.200
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.490	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	14111
Completeness [%]	98.2	93.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	22% MPD, 100 mM acetate buffer, 20 mM CaCl2, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K