6QLW

Cathepsin-K in complex with MIV-710

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0723
Spacegroup name	P 1 21 1
Unit cell lengths	75.727, 69.484, 78.680
Unit cell angles	90.00, 100.89, 90.00

Refinement procedure

Resolution	74.473 - 2.000
R-factor	0.182
Rwork	0.180
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.710
Data reduction software	MOSFLM
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.473	74.473	2.050
High resolution limit [Å]	2.000	8.720	2.000
Rmerge	0.148	0.074	0.596
Rmeas	0.175	0.086	0.767
Rpim	0.091	0.042	0.475
Number of reflections	52114	695	3142
<I/σ(I)>	7
Completeness [%]	96.0	99.4	75.4
Redundancy	3.3	3.9	2.1
CC(1/2)	0.980	0.988	0.554

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	291	25mM ADA pH6.1, 250mM sodium nitrate and 20% PEG 5k.mme