2Q11

Structure of BACE complexed to compound 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Collection date	2001-09-01
Spacegroup name	C 1 2 1
Unit cell lengths	235.900, 108.500, 63.100
Unit cell angles	90.00, 102.94, 90.00

Refinement procedure

Resolution	500.000 - 2.400
Rwork	0.278
R-free	0.33700
Structure solution method	MOLECULAR REPLACEMENT
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000
High resolution limit [Å]	2.400	2.400
Number of reflections	59364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	278	25% PEGMME5K 0.2 M Ammonium Iodide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K