2AUX

Cathepsin K complexed with a semicarbazone inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	1998-10-02
Detector	RIGAKU RAXIS IV
Spacegroup name	P 43 21 2
Unit cell lengths	61.390, 61.390, 110.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.400
Rwork	0.198
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1atk
RMSD bond length	0.006
RMSD bond angle	1.230
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.087	0.280
Number of reflections	8658
<I/σ(I)>	36	10.5
Completeness [%]	97.7	99
Redundancy	9.8	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5		0.2 M ammonium sulfate, 30% PEG8000, pH 5.5, VAPOR DIFFUSION, HANGING DROP