2WEZ

Human BACE-1 in complex with 1-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-4-(2-oxo-1- pyrrolidinyl)-1H-indole-6-carboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF
Synchrotron site	ESRF
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	48.531, 76.758, 104.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.000 - 1.700
R-factor	0.2
Rwork	0.200
R-free	0.22300
Structure solution method	OTHER
Starting model (for MR)	NONE
Refinement software	CNS

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	CRYSTALS GROWN BY VAPOUR DIFFUSION AT 20C USING STREAK SEEDING, WITH 10% PEG8000 AND 0.1M GLYCINE PH 3.2