6EZP

CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-02-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	54.056, 60.547, 70.049
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.320 - 1.370
R-factor	0.21204
Rwork	0.211
R-free	0.23336
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.293
Data reduction software	XPREP
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.6.0093)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.320	1.410
High resolution limit [Å]	1.370	1.370
Rmerge	0.190	0.896
Number of reflections	43046	2787
<I/σ(I)>	7.2	1.3
Completeness [%]	92.5	86.4
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	294	0.1 M citrate, 25% PEG3350