2OF0
X-ray crystal structure of beta secretase complexed with compound 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-10-24 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54180 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 102.412, 102.412, 169.237 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.190 - 2.250 |
| R-factor | 0.223 |
| Rwork | 0.220 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w50 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.407 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CSearch ((IN-HOUSE MR PROGRAM) |
| Refinement software | REFMAC (5.2.0019c) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 38.200 |
| High resolution limit [Å] | 2.200 |
| Number of reflections | 24904 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | 20-22.5% (w/v) PEG 5000 monomethylether (MME), 200 mM sodium citrate (pH 6.6), 200 mM ammonium iodide, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
