1XN2
New substrate binding pockets for beta-secretase.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2004-03-05 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97640 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.223, 130.784, 88.744 |
| Unit cell angles | 90.00, 97.71, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.193 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fkn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.079 | 0.430 |
| Number of reflections | 148428 | |
| <I/σ(I)> | 17.5 | 3.1 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 290 | 16% PEG8000, 100mM Cacodylate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
