8V58

Complex of murine cathepsin K with bound heparan sulfate 12mer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 41 2 2
Unit cell lengths	111.892, 111.892, 116.653
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.870 - 3.100
R-factor	0.2386
Rwork	0.236
R-free	0.29260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.298
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.150
High resolution limit [Å]	3.100	3.100
Rmeas	0.099	1.030
Rpim	0.036	0.361
Number of reflections	13901	675
<I/σ(I)>	5.4	1.7
Completeness [%]	98.8
Redundancy	7.4
CC(1/2)	0.980	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1M sodium acetate, 0.2M lithium sulfate, 31.5% PEG 8K