5QCW
Crystal structure of BACE complex with BMC021
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2003-03-27 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.027, 102.945, 99.916 |
Unit cell angles | 90.00, 103.66, 90.00 |
Refinement procedure
Resolution | 48.860 - 2.100 |
R-factor | 0.177 |
Rwork | 0.174 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.965 |
Data scaling software | SCALEPACK |
Phasing software | CNX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 48.860 |
High resolution limit [Å] | 2.104 |
Rmerge | 0.056 |
Number of reflections | 93140 |
Completeness [%] | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting drop | 5.5 | 292 | PROTEIN STOCK WAS BACE MUT46B (14-447)7.3MG/ML IN 10MM TRIS-HCL PH 7.4, 25MM NACL. CRYSTALLIZATION SOLUTION WAS 1.0M AMMONIUM SULFATE IN WATER (JBS 6 A2). CRYSTALS WERE GROWN BY VAPOR DIFFUSION IN SITTING DROPS IN 96-WELL CORNING MICROTITER PLATES. CRYO-PROTECTANT WAS 80% WELL SOLUTION, 20% 1,2-PROPANEDIOL. |