1DTD

CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE LEECH CARBOXYPEPTIDASE INHIBITOR AND THE HUMAN CARBOXYPEPTIDASE A2 (LCI-CPA2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-01-01
Detector	RIGAKU
Spacegroup name	P 32 2 1
Unit cell lengths	80.439, 80.439, 114.464
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	12.000 - 1.650
R-factor	0.187
Rwork	0.187
R-free	0.23400
RMSD bond length	0.008 *
RMSD bond angle	1.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.750
High resolution limit [Å]	1.650	1.650
Rmerge	0.092	0.150
Total number of observations	433570 *
Number of reflections	52605
<I/σ(I)>	80
Completeness [%]	98.0	98
Redundancy	5	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5	4, 20 *	drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
2	1	drop		0.1 (M)
3	1	drop	Tris-HCl	10 (mM)
4	1	reservoir	ammonium phosphate	1.0 (M)
5	1	reservoir	sodium citrate	0.1 (M)