3K5F
Human BACE-1 COMPLEX WITH AYH011
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 105 |
Detector technology | CCD |
Collection date | 2004-09-02 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97936 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.651, 103.708, 101.818 |
Unit cell angles | 90.00, 102.53, 90.00 |
Refinement procedure
Resolution | 43.620 - 2.250 |
R-factor | 0.212 |
Rwork | 0.209 |
R-free | 0.23200 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNX |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.068 | 0.355 |
Number of reflections | 74108 | |
<I/σ(I)> | 9.1 | |
Completeness [%] | 93.8 | 72 |
Redundancy | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 292 | CRYSTALS WERE GROWN AT 19C BY VAPOUR DIFFUSION IN HANGING DROPS FROM 1.0M AMMONIUM SULFATE. PROTEIN STOCK WAS 8.45MG/ML BACE IN 10MM TRIS-HCL PH 7.4, 25MM NACL, WITH A 2-FOLD EXCESS OF INHIBITOR ADDED FROM A 10MM STOCK SOLUTION IN DMSO (4% DMSO IN DROP).CRYO-PROTECTANT WAS 22%(V/V) GLYCEROL, 78% (V/V) RESERVOIR SOLUTION., VAPOR DIFFUSION, temperature 292K |