3BC3

Exploring inhibitor binding at the S subsites of cathepsin L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	170
Detector technology	IMAGE PLATE
Collection date	2005-08-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	74.765, 90.929, 126.026
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.200
Rwork	0.183
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mhw
RMSD bond length	0.006
RMSD bond angle	1.044
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Number of reflections	20987
<I/σ(I)>	21.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	17%(w/v) Polyethylene glycol 8000, 0.2M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K