4CTH
Neprilysin variant G399V,G714K in complex with phosphoramidon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-01 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 108.799, 108.799, 112.942 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.480 - 2.150 |
| R-factor | 0.2122 |
| Rwork | 0.209 |
| R-free | 0.26140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dmt |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.100 | 1.270 |
| Number of reflections | 42405 | |
| <I/σ(I)> | 16.4 | 16.4 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 9.2 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | HANGING DROP, pH 7.0 |
