2B8V

Crystal structure of human Beta-secretase complexed with L-L000430,469

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	193
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	C 2 2 21
Unit cell lengths	104.900, 127.400, 76.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.800
Rwork	0.346
R-free	0.35800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tqf
RMSD bond length	0.007
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNX (2000.1)
Refinement software	CNX (version 2000.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.790
Rmerge	0.053
Number of reflections	45450
<I/σ(I)>	34.5
Completeness [%]	93.8
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.5M LITHIUM SULFATE, 0.1M HEPES BUFFER, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.50