2IS0
Crystal structure of human Beta-secretase complexed with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-10-24 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 104.670, 127.910, 76.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.200 |
| Rwork | 0.235 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tqf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNX (2000.1) |
| Refinement software | CNX (VERSION 2000.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.170 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.114 | 0.386 |
| Number of reflections | 33661 | |
| <I/σ(I)> | 4.2 | 1.5 |
| Completeness [%] | 96.5 | 95.6 |
| Redundancy | 6.88 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 298 | 1.5M Lithium sulfate, 0.1M HEPES buffer, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 7.50 |
