5T6U

Crystal structure of mouse cathepsin K at 2.9 Angstroms resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 2 21
Unit cell lengths	37.920, 43.260, 133.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.260 - 2.900
R-factor	0.2058
Rwork	0.205
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x6h
RMSD bond length	0.002
RMSD bond angle	0.611
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.260	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.122	0.320
Number of reflections	5243
<I/σ(I)>	10.66	5.3
Completeness [%]	99.5	99.9
Redundancy	5.4	5.8
CC(1/2)	0.990	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	298	0.1 M sodium phosphate pH 6.2 25% (v/v) 1,2-propanediol 10% (v/v) glycerol