3OOZ
Bace1 in complex with the aminohydantoin Compound 102
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2006-04-21 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.927, 104.664, 50.540 |
| Unit cell angles | 90.00, 94.91, 90.00 |
Refinement procedure
| Resolution | 22.700 - 1.800 |
| R-factor | 0.21657 |
| Rwork | 0.215 |
| R-free | 0.25333 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w50 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.208 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 22.700 |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 32664 |
| Completeness [%] | 93.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 291 | pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
