3LNK

Structure of BACE bound to SCH743813

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2009-04-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	86.364, 89.370, 131.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.480 - 1.800
Rwork	0.183
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qp8
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	BUSTER (2.9.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	94237
Completeness [%]	99.2	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP