2ZDZ
X-ray structure of Bace-1 in complex with compound 3.b.10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2005-01-01 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.308, 105.213, 50.999 |
| Unit cell angles | 90.00, 94.98, 90.00 |
Refinement procedure
| Resolution | 59.760 - 2.000 |
| R-factor | 0.2204 |
| Rwork | 0.219 |
| R-free | 0.25551 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.097 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 99.000 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.109 |
| Number of reflections | 24417 |
| <I/σ(I)> | 11.5 |
| Completeness [%] | 96.5 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
