4NGE
Crystal Structure of Human Presequence Protease in Complex with Amyloid-beta (1-40)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 113.5 |
| Detector technology | CCD |
| Collection date | 2013-06-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.045 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 247.275, 86.183, 158.611 |
| Unit cell angles | 90.00, 127.56, 90.00 |
Refinement procedure
| Resolution | 39.621 - 2.704 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.23230 |
| Structure solution method | MR/SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.024 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 67540 | |
| <I/σ(I)> | 8.69 | 1.75 |
| Completeness [%] | 99.1 | 98.2 |
| Redundancy | 2.9 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | 15.2% w/v PEG8000, 15 mM TCEP, 80 mM sodium cacodylate, pH 6.5, 160 mM calcium acetate, 20% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K |
