1CVZ

CRYSTAL STRUCTURE ANALYSIS OF PAPAIN WITH CLIK148(CATHEPSIN L SPECIFIC INHIBITOR)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-01-01
Detector	MAC Science DIP-2030
Spacegroup name	P 21 21 21
Unit cell lengths	42.890, 49.910, 95.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.700
R-factor	0.177 *
Rwork	0.177
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.072	0.152
Total number of observations	73437 *
Number of reflections	22427
<I/σ(I)>	13.6
Completeness [%]	95.9	95.6
Redundancy		3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.9	277	sodium chloride, methanol, pH 8.9, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop	DMSO	20 (%)
3	1	drop	cysteine	1 (mg/ml)
4	1	reservoir	aminomethanol	0.1 (M)
5	1	reservoir		0.05 (M)
6	1	reservoir	methanol	30 (%)