1W50
Apo Structure of BACE (Beta Secretase)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 103.243, 103.243, 169.108 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.520 - 1.750 |
| R-factor | 0.245 |
| Rwork | 0.244 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fkn |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.427 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1.29) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.500 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.100 | 0.450 |
| Number of reflections | 51594 | |
| <I/σ(I)> | 4.6 | 1.7 |
| Completeness [%] | 95.9 | 97.2 |
| Redundancy | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.6 | pH 6.60 |
