5QCR
Crystal structure of BACE complex with BMC026
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 | 2003-07-31 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.761, 102.757, 99.928 |
Unit cell angles | 90.00, 103.28, 90.00 |
Refinement procedure
Resolution | 46.520 - 2.200 |
R-factor | 0.176 |
Rwork | 0.173 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.981 |
Data scaling software | SCALEPACK |
Phasing software | CNX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 46.520 |
High resolution limit [Å] | 2.200 |
Rmerge | 0.059 |
Number of reflections | 81413 |
Completeness [%] | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 292 | CRYSTALS WERE GROWN AT 19C BY VAPOUR DIFFUSION IN HANGING DROPS USING 1.0M UNBUFFERED AMMONIUM SULFATE AS PRECIPITANT. PROTEIN STOCK WAS BACE MUT46B BATCH IX 8.1MG/ML IN 10MM TRIS-HCL PH 7.4, 25MM NACL WITH A 4-FOLD EXCESS OF BMC026 ADDED FROM A 100MM STOCK SOLUTION IN DMSO. CRYO-PROTECTANT WAS 2.0M LI2SO4, 2%(V/V) PEG 400, 0.1M CITRATE PH 5.5, 0.5MM BMC026, 1% DMSO. |