6SH1
Crystal structure of substrate-free human neprilysin E584D.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-28 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.140, 99.745, 100.119 |
| Unit cell angles | 90.00, 106.23, 90.00 |
Refinement procedure
| Resolution | 69.220 - 2.100 |
| Rwork | 0.218 |
| R-free | 0.26140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gid |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.212 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.220 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 576297 | 32234 |
| <I/σ(I)> | 6.6 | 1 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.992 | 0.464 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291.15 | Potassium nitrate, sodium bromide, Bis-Tris propane, PEG 3350 |
