2AIG

ADAMALYSIN II WITH PEPTIDOMIMETIC INHIBITOR POL647

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, 96.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.000 - 2.600
R-factor	0.191
Rwork	0.191
Structure solution method	RIGID BODY
Starting model (for MR)	NATIVE ADAMALYSIN II (PDB ENTRY 1IAG)
RMSD bond length	0.007
RMSD bond angle	1.230
Data reduction software	ABSCORR/ABSURD/CCP4
Data scaling software	ABSCORR
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.106	0.325 *
Total number of observations	27819 *
Number of reflections	11018	924 *
<I/σ(I)>	5.4
Completeness [%]	81.6	48.2
Redundancy	2.5	1.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5 *		Kurecki, T., (1978) J. Biol. Chem., 253, 8340. *

Crystallization Reagents in Literatures

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