6BKI

Crystal structure of T101A variant mouse cathepsin K at 2.94 Angstrom 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	2017-04-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 41
Unit cell lengths	105.220, 105.220, 41.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.056 - 2.940
R-factor	0.1956
Rwork	0.193
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x6h
RMSD bond length	0.013
RMSD bond angle	1.172
Data reduction software	XDS (20170601)
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]	47.060	3.050
High resolution limit [Å]	2.940	2.940
Rmerge	0.167	0.649
Number of reflections	9974	2934
<I/σ(I)>	10.05	2.69
Completeness [%]	99.0	88.8
Redundancy	7.2	6.9
CC(1/2)	0.986	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.1 M HEPES pH 7.0 30% (w/v) Jeffamine ED-2003