5QCS

Crystal structure of BACE complex with BMC024

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-03
Spacegroup name	P 1 21 1
Unit cell lengths	82.250, 103.202, 100.997
Unit cell angles	90.00, 103.03, 90.00

Refinement procedure

Resolution	56.240 - 2.310
R-factor	0.173
Rwork	0.172
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.951
Data scaling software	SCALEPACK
Phasing software	CNX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall
Low resolution limit [Å]	56.236
High resolution limit [Å]	2.305
Rmerge	0.097
Number of reflections	72192
Completeness [%]	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop		292	CRYSTALS WERE GROWN AT 19C BY VAPOUR DIFFUSION IN HANGING DROPS FROM 1.0M AMMONIUM SULFATE. PROTEIN STOCK WAS BACE MUT46B BATCH XII 8.45MG/ML IN 10MM TRIS-HCL PH 7.4, 25MM NACL, WITH A 2-FOLD EXCESS OF BMC024 ADDED FROM A 10MM STOCK SOLUTION IN DMSO (2% DMSO IN DROP). CRYO-PROTECTANT WAS 1.2M AMMONIUM SULFATE, 25% GLYCEROL, 0.4MM BMC024, 4% DMSO.