3DM6
Beta-secretase 1 complexed with statine-based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-14 |
| Wavelength(s) | 0.9340 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.435, 103.017, 103.110 |
| Unit cell angles | 90.00, 103.50, 90.00 |
Refinement procedure
| Resolution | 63.760 - 2.600 |
| R-factor | 0.22586 |
| Rwork | 0.223 |
| R-free | 0.28131 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.501 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.504 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.054 | 0.416 |
| Total number of observations | 29114 | |
| Number of reflections | 51052 | |
| <I/σ(I)> | 9.6 | 1.8 |
| Completeness [%] | 97.8 | 97.7 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 299 | 16% PEG8000, 0.1M Citrate, 0.3M Lithium sulphate, 0.1M Sodium Chloride, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 299K |
