3AIG

ADAMALYSIN II WITH PEPTIDOMIMETIC INHIBITOR POL656

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Detector technology	DIFFRACTOMETER
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 32 1 2
Unit cell lengths	73.550, 73.550, 96.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.000 - 2.800
R-factor	0.194
Rwork	0.194
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	NATIVE ADAMALYSIN II (PDB ENTRY 1IAG)
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	ABSCORR/CCP4
Data scaling software	ABSCORR
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.630
High resolution limit [Å]	2.500	2.500
Rmerge	0.120	0.320 *
Total number of observations	18531 *
Number of reflections	8311	680 *
<I/σ(I)>	4.4
Completeness [%]	78.9	45.7
Redundancy	2.2	1.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5 *		Gomis-Ruth, F.X., (1993) Embo J., 12, 4151. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	1.8 (M)